المؤلفون: Lawson CL; RCSB Protein Data Bank and Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA. cathy.lawson@rutgers.edu., Kryshtafovych A; Genome Center, University of California, Davis, CA, USA., Pintilie GD; Departments of Bioengineering and of Microbiology and Immunology, Stanford University, Stanford, CA, USA., Burley SK; RCSB Protein Data Bank and Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.; Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.; Rutgers Cancer Institute of New Jersey, Rutgers, The State University of New Jersey, New Brunswick, NJ, USA.; RCSB Protein Data Bank and San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, USA., Černý J; Institute of Biotechnology, Czech Academy of Sciences, Vestec, Czech Republic., Chen VB; Department of Biochemistry, Duke University, Durham, NC, USA., Emsley P; MRC Laboratory of Molecular Biology, Cambridge, UK., Gobbi A; Discovery Chemistry, Genentech Inc., San Francisco, CA, USA.; Berlin, Germany., Joachimiak A; Structural Biology Center, X-ray Science Division, Argonne National Laboratory, Argonne, IL, USA.; Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, IL, USA., Noreng S; Structural Biology, Genentech Inc., South San Francisco, CA, USA.; Protein Science, Septerna, South San Francisco, CA, USA., Prisant MG; Department of Biochemistry, Duke University, Durham, NC, USA., Read RJ; Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK., Richardson JS; Department of Biochemistry, Duke University, Durham, NC, USA., Rohou AL; Structural Biology, Genentech Inc., South San Francisco, CA, USA., Schneider B; Institute of Biotechnology, Czech Academy of Sciences, Vestec, Czech Republic., Sellers BD; Discovery Chemistry, Genentech Inc., San Francisco, CA, USA.; Computational Chemistry, Vilya, South San Francisco, CA, USA., Shao C; RCSB Protein Data Bank and Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA., Sourial E; Chemical Computing Group, Montreal, Quebec, Canada., Williams CI; Chemical Computing Group, Montreal, Quebec, Canada., Williams CJ; Department of Biochemistry, Duke University, Durham, NC, USA., Yang Y; Structural Biology, Genentech Inc., South San Francisco, CA, USA., Abbaraju V; RCSB Protein Data Bank and Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA., Afonine PV; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Baker ML; Department of Biochemistry and Molecular Biology, The University of Texas Health Science Center at Houston, Houston, TX, USA., Bond PS; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK., Blundell TL; Department of Biochemistry, University of Cambridge, Cambridge, UK., Burnley T; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Campbell A; Center for Development of Therapeutics, Broad Institute of MIT and Harvard, Cambridge, MA, USA., Cao R; Department of Computer Science, Pacific Lutheran University, Tacoma, WA, USA., Cheng J; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO, USA., Chojnowski G; European Molecular Biology Laboratory, Hamburg Unit, Hamburg, Germany., Cowtan KD; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK., DiMaio F; Department of Biochemistry and Institute for Protein Design, University of Washington, Seattle, WA, USA., Esmaeeli R; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA., Giri N; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO, USA., Grubmüller H; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany., Hoh SW; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK., Hou J; Department of Computer Science, Saint Louis University, St. Louis, MO, USA., Hryc CF; Department of Biochemistry and Molecular Biology, The University of Texas Health Science Center at Houston, Houston, TX, USA., Hunte C; Institute of Biochemistry and Molecular Biology, ZBMZ, Faculty of Medicine and CIBSS-Centre for Integrative Biological Signalling Studies, University of Freiburg, Freiburg, Germany., Igaev M; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany., Joseph AP; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Kao WC; Institute of Biochemistry and Molecular Biology, ZBMZ, Faculty of Medicine and CIBSS-Centre for Integrative Biological Signalling Studies, University of Freiburg, Freiburg, Germany., Kihara D; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.; Department of Computer Science, Purdue University, West Lafayette, IN, USA., Kumar D; Verna and Marrs McLean Department of Biochemistry and Molecular Biology, Baylor College of Medicine, Houston, TX, USA.; Trivedi School of Biosciences, Ashoka University, Sonipat, India., Lang L; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA.; The Chinese University of Hong Kong, Hong Kong, China., Lin S; Division of Computing & Software Systems, University of Washington, Bothell, WA, USA., Maddhuri Venkata Subramaniya SR; Department of Computer Science, Purdue University, West Lafayette, IN, USA., Mittal S; Biodesign Institute, Arizona State University, Tempe, AZ, USA.; School of Advanced Sciences and Languages, VIT Bhopal University, Bhopal, India., Mondal A; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA.; National Renewable Energy Laboratory (NREL), Golden, CO, USA., Moriarty NW; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Muenks A; Department of Biochemistry and Institute for Protein Design, University of Washington, Seattle, WA, USA., Murshudov GN; MRC Laboratory of Molecular Biology, Cambridge, UK., Nicholls RA; MRC Laboratory of Molecular Biology, Cambridge, UK.; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Olek M; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK.; Electron Bio-Imaging Centre, Diamond Light Source, Harwell Science and Innovation Campus, Didcot, UK., Palmer CM; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Perez A; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA., Pohjolainen E; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany., Pothula KR; Institute of Biological Information Processing (IBI-7, Structural Biochemistry) and Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, Jülich, Germany., Rowley CN; Department of Chemistry, Carleton University, Ottawa, Ontario, Canada., Sarkar D; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.; Biodesign Institute, Arizona State University, Tempe, AZ, USA.; MSU-DOE Plant Research Laboratory, East Lansing, MI, USA.; School of Molecular Sciences, Arizona State University, Tempe, AZ, USA., Schäfer LU; Institute of Biological Information Processing (IBI-7, Structural Biochemistry) and Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, Jülich, Germany., Schlicksup CJ; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Schröder GF; Institute of Biological Information Processing (IBI-7, Structural Biochemistry) and Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, Jülich, Germany.; Physics Department, Heinrich Heine University Düsseldorf, Düsseldorf, Germany., Shekhar M; Center for Development of Therapeutics, Broad Institute of MIT and Harvard, Cambridge, MA, USA.; Biodesign Institute, Arizona State University, Tempe, AZ, USA., Si D; Division of Computing & Software Systems, University of Washington, Bothell, WA, USA., Singharoy A; Biodesign Institute, Arizona State University, Tempe, AZ, USA., Sobolev OV; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Terashi G; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA., Vaiana AC; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany.; Nature's Toolbox (NTx), Rio Rancho, NM, USA., Vedithi SC; Department of Biochemistry, University of Cambridge, Cambridge, UK., Verburgt J; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA., Wang X; Department of Computer Science, Purdue University, West Lafayette, IN, USA., Warshamanage R; MRC Laboratory of Molecular Biology, Cambridge, UK., Winn MD; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Weyand S; Department of Biochemistry, University of Cambridge, Cambridge, UK., Yamashita K; MRC Laboratory of Molecular Biology, Cambridge, UK., Zhao M; Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, IL, USA., Schmid MF; Division of Cryo-EM and Bioimaging, SSRL, SLAC National Accelerator Laboratory, Menlo Park, CA, USA., Berman HM; Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.; Department of Quantitative and Computational Biology, University of Southern California, Los Angeles, CA, USA., Chiu W; Departments of Bioengineering and of Microbiology and Immunology, Stanford University, Stanford, CA, USA. wahc@stanford.edu.; Division of Cryo-EM and Bioimaging, SSRL, SLAC National Accelerator Laboratory, Menlo Park, CA, USA. wahc@stanford.edu.

المصدر: Nature methods [Nat Methods] 2024 Jul; Vol. 21 (7), pp. 1340-1348. Date of Electronic Publication: 2024 Jun 25.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Pub. Group Country of Publication: United States NLM ID: 101215604 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1548-7105 (Electronic) Linking ISSN: 15487091 NLM ISO Abbreviation: Nat Methods Subsets: MEDLINE

مواضيع طبية MeSH: Cryoelectron Microscopy*/methods , Models, Molecular*, Ligands ; SARS-CoV-2 ; COVID-19/virology ; Escherichia coli ; beta-Galactosidase/chemistry ; beta-Galactosidase/metabolism ; Protein Conformation ; Reproducibility of Results

المؤلفون: Lawson CL; Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA., Kryshtafovych A; Genome Center, University of California, Davis, CA, USA., Pintilie GD; Departments of Bioengineering and of Microbiology and Immunology, Stanford University, Stanford, CA, USA., Burley SK; Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.; Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.; Rutgers Cancer Institute of New Jersey, Rutgers, The State University of New Jersey, New Brunswick, NJ USA.; San Diego Supercomputer Center, University of California San Diego, La Jolla, CA USA., Černý J; Institute of Biotechnology, Czech Academy of Sciences, Vestec, CZ., Chen VB; Department of Biochemistry, Duke University, Durham NC, USA., Emsley P; MRC Laboratory of Molecular Biology, Cambridge, UK., Gobbi A; Discovery Chemistry, Genentech Inc, South San Francisco, USA., Joachimiak A; Structural Biology Center, X-ray Science Division, Argonne National Laboratory, Argonne, IL, USA., Noreng S; Structural Biology, Genentech Inc, South San Francisco, USA., Prisant M; Department of Biochemistry, Duke University, Durham NC, USA., Read RJ; Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK., Richardson JS; Department of Biochemistry, Duke University, Durham NC, USA., Rohou AL; Structural Biology, Genentech Inc, South San Francisco, USA., Schneider B; Institute of Biotechnology, Czech Academy of Sciences, Vestec, CZ., Sellers BD; Discovery Chemistry, Genentech Inc, South San Francisco, USA., Shao C; Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA., Sourial E; Chemical Computing Group, Montreal, Quebec, CA., Williams CI; Chemical Computing Group, Montreal, Quebec, CA., Williams CJ; Department of Biochemistry, Duke University, Durham NC, USA., Yang Y; Structural Biology, Genentech Inc, South San Francisco, USA., Abbaraju V; Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA., Afonine PV; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Baker ML; Department of Biochemistry and Molecular Biology, The University of Texas Health Science Center at Houston, Houston, TX, USA., Bond PS; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK., Blundell TL; Department of Biochemistry, University of Cambridge, Cambridge, UK., Burnley T; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Campbell A; Center for Development of Therapeutics, Broad Institute of MIT and Harvard, Cambridge, MA, USA., Cao R; Department of Computer Science, Pacific Lutheran University, Tacoma, WA, USA., Cheng J; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO, USA., Chojnowski G; European Molecular Biology Laboratory, Hamburg Unit, Hamburg, Germany., Cowtan KD; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK., DiMaio F; Department of Biochemistry and Institute for Protein Design, University of Washington, Seattle, WA, USA., Esmaeeli R; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA., Giri N; Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO, USA., Grubmüller H; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany., Hoh SW; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK., Hou J; Department of Computer Science, Saint Louis University, St. Louis, MO, USA., Hryc CF; Department of Biochemistry and Molecular Biology, The University of Texas Health Science Center at Houston, Houston, TX, USA., Hunte C; Institute of Biochemistry and Molecular Biology, ZBMZ, Faculty of Medicine and CIBSS - Centre for Integrative Biological Signalling Studies, University of Freiburg, 79104 Freiburg, Germany., Igaev M; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany., Joseph AP; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Kao WC; Institute of Biochemistry and Molecular Biology, ZBMZ, Faculty of Medicine and CIBSS - Centre for Integrative Biological Signalling Studies, University of Freiburg, 79104 Freiburg, Germany., Kihara D; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.; Department of Computer Science, Purdue University, West Lafayette, IN, USA., Kumar D; Verna and Marrs McLean Department of Biochemistry and Molecular Biology, Baylor College of Medicine, Houston, TX, USA., Lang L; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA., Lin S; Division of Computing & Software Systems, University of Washington, Bothell, WA, USA., Maddhuri Venkata Subramaniya SR; Department of Computer Science, Purdue University, West Lafayette, IN, USA., Mittal S; Biodesign Institute, Arizona State University, Tempe, AZ, USA.; School of Advanced Sciences and Languages, VIT Bhopal University, Bhopal, India., Mondal A; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA., Moriarty NW; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Muenks A; Department of Biochemistry and Institute for Protein Design, University of Washington, Seattle, WA, USA., Murshudov GN; MRC Laboratory of Molecular Biology, Cambridge, UK., Nicholls RA; MRC Laboratory of Molecular Biology, Cambridge, UK., Olek M; York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK.; Electron Bio-Imaging Centre, Diamond Light Source, Harwell Science and Innovation Campus, Didcot, UK., Palmer CM; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Perez A; Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA., Pohjolainen E; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany., Pothula KR; Institute of Biological Information Processing (IBI-7: Structural Biochemistry) and Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, Jülich, Germany., Rowley CN; Department of Chemistry, Carleton University, Ottawa, ON, Canada., Sarkar D; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.; Biodesign Institute, Arizona State University, Tempe, AZ, USA., Schäfer LU; Institute of Biological Information Processing (IBI-7: Structural Biochemistry) and Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, Jülich, Germany., Schlicksup CJ; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Schröder GF; Institute of Biological Information Processing (IBI-7: Structural Biochemistry) and Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, Jülich, Germany.; Physics Department, Heinrich Heine University Düsseldorf, Düsseldorf, Germany., Shekhar M; Center for Development of Therapeutics, Broad Institute of MIT and Harvard, Cambridge, MA, USA.; Biodesign Institute, Arizona State University, Tempe, AZ, USA., Si D; Division of Computing & Software Systems, University of Washington, Bothell, WA, USA., Singharoy A; Biodesign Institute, Arizona State University, Tempe, AZ, USA., Sobolev OV; Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Terashi G; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA., Vaiana AC; Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany.; Nature's Toolbox (NTx), Rio Rancho, NM, USA., Vedithi SC; Department of Biochemistry, University of Cambridge, Cambridge, UK., Verburgt J; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA., Wang X; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA., Warshamanage R; MRC Laboratory of Molecular Biology, Cambridge, UK., Winn MD; Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK., Weyand S; Department of Biochemistry, University of Cambridge, Cambridge, UK., Yamashita K; MRC Laboratory of Molecular Biology, Cambridge, UK., Zhao M; Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, IL, USA., Schmid MF; Division of Cryo-EM and Bioimaging, SSRL, SLAC National Accelerator Laboratory, Menlo Park, CA, USA., Berman HM; Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.; Department of Quantitative and Computational Biology, University of Southern California, Los Angeles, CA 90089, USA., Chiu W; Departments of Bioengineering and of Microbiology and Immunology, Stanford University, Stanford, CA, USA.; Division of Cryo-EM and Bioimaging, SSRL, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.

المصدر: Research square [Res Sq] 2024 Jan 25. Date of Electronic Publication: 2024 Jan 25.

نوع المنشور: Preprint

بيانات الدورية: Country of Publication: United States NLM ID: 101768035 Publication Model: Electronic Cited Medium: Internet ISSN: 2693-5015 (Electronic) Linking ISSN: 26935015 NLM ISO Abbreviation: Res Sq Subsets: PubMed not MEDLINE

المؤلفون: Latham AP; Small Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA.; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Levy ES; Small Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Sellers BD; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Leung DH; Small Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA.

المصدر: Pharmaceutics [Pharmaceutics] 2023 Dec 28; Vol. 16 (1). Date of Electronic Publication: 2023 Dec 28.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101534003 Publication Model: Electronic Cited Medium: Print ISSN: 1999-4923 (Print) Linking ISSN: 19994923 NLM ISO Abbreviation: Pharmaceutics Subsets: PubMed not MEDLINE

المؤلفون: Verma VA; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Wang L; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Labadie SS; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Liang J; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Sellers BD; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Wang J; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Dong L; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Wang Q; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Zhang S; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Xu Z; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Zhang Y; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Niu Y; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Wang X; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Wai J; WuXi AppTec Co., Ltd., 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, People's Republic of China., Koehler MFT; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Hu H; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Alexander MK; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Nishiyama M; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Miu A; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Xu Y; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Pang J; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Katakam AK; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Reichelt M; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Austin CD; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Ho H; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Payandeh J; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Koth CM; Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States.

المصدر: Journal of medicinal chemistry [J Med Chem] 2022 Mar 10; Vol. 65 (5), pp. 4085-4120. Date of Electronic Publication: 2022 Feb 20.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Escherichia coli*/metabolism , Lipopolysaccharides*/metabolism , Lipopolysaccharides*/pharmacology, ATP-Binding Cassette Transporters ; Bacterial Proteins/metabolism ; Klebsiella pneumoniae/metabolism

المؤلفون: Aliagas I; Discovery Chemistry, Genentech Inc, 1 DNA Way, South San Francisco, CA, 94080, USA. imaliagas@gmail.com., Gobbi A; Discovery Chemistry, Genentech Inc, 1 DNA Way, South San Francisco, CA, 94080, USA., Lee ML; Discovery Chemistry, Genentech Inc, 1 DNA Way, South San Francisco, CA, 94080, USA., Sellers BD; Discovery Chemistry, Genentech Inc, 1 DNA Way, South San Francisco, CA, 94080, USA.

المصدر: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2022 Mar; Vol. 36 (3), pp. 253-262. Date of Electronic Publication: 2022 Apr 01.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

مواضيع طبية MeSH: Software* , Water*/chemistry, Algorithms ; Machine Learning ; Octanols/chemistry

المؤلفون: Wang S; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland., Krummenacher K; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland., Landrum GA; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland., Sellers BD; Department of Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Di Lello P; Department of Structural Biology, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Robinson SJ; Department of Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Martin B; Department of Structural Biology, Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, United States., Holden JK; Department of Early Discovery Biochemistry, Genentech, Inc., South San Francisco, California 94080, United States., Tom JYK; Department of Early Discovery Biochemistry, Genentech, Inc., South San Francisco, California 94080, United States., Murthy AC; Department of Early Discovery Biochemistry, Genentech, Inc., South San Francisco, California 94080, United States., Popovych N; Department of Early Discovery Biochemistry, Genentech, Inc., South San Francisco, California 94080, United States., Riniker S; Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.

المصدر: Journal of chemical information and modeling [J Chem Inf Model] 2022 Feb 14; Vol. 62 (3), pp. 472-485. Date of Electronic Publication: 2022 Jan 14.

نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

مواضيع طبية MeSH: Peptides* , Peptides, Cyclic*, Magnetic Resonance Imaging ; Magnetic Resonance Spectroscopy/methods ; Models, Molecular ; Protein Conformation

المؤلفون: Clairfeuille T; Structural Biology, Genentech Inc., South San Francisco, CA, USA., Buchholz KR; Infectious Diseases, Genentech Inc., South San Francisco, CA, USA., Li Q; Microchemistry, Proteomics & Lipidomics, Genentech Inc., South San Francisco, CA, USA., Verschueren E; Microchemistry, Proteomics & Lipidomics, Genentech Inc., South San Francisco, CA, USA., Liu P; Microchemistry, Proteomics & Lipidomics, Genentech Inc., South San Francisco, CA, USA., Sangaraju D; Drug Metabolism & Pharmacokinetics, Genentech Inc., South San Francisco, CA, USA., Park S; Translational Immunology, Genentech Inc., South San Francisco, CA, USA., Noland CL; Structural Biology, Genentech Inc., South San Francisco, CA, USA., Storek KM; Infectious Diseases, Genentech Inc., South San Francisco, CA, USA., Nickerson NN; Infectious Diseases, Genentech Inc., South San Francisco, CA, USA., Martin L; BioMolecular Resources, Genentech Inc., South San Francisco, CA, USA., Dela Vega T; BioMolecular Resources, Genentech Inc., South San Francisco, CA, USA., Miu A; Biochemical & Cellular Pharmacology, Genentech Inc., South San Francisco, CA, USA., Reeder J; Bioinformatics & Computational Biology, Genentech Inc., South San Francisco, CA, USA., Ruiz-Gonzalez M; Discovery Chemistry Departments, Genentech Inc., South San Francisco, CA, USA., Swem D; Infectious Diseases, Genentech Inc., South San Francisco, CA, USA., Han G; Microchemistry, Proteomics & Lipidomics, Genentech Inc., South San Francisco, CA, USA., DePonte DP; Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, CA, USA., Hunter MS; Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, CA, USA., Gati C; Bioscience Division, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.; Stanford University, Department of Structural Biology, Stanford, CA, USA., Shahidi-Latham S; Drug Metabolism & Pharmacokinetics, Genentech Inc., South San Francisco, CA, USA., Xu M; Translational Immunology, Genentech Inc., South San Francisco, CA, USA., Skelton N; Discovery Chemistry Departments, Genentech Inc., South San Francisco, CA, USA., Sellers BD; Discovery Chemistry Departments, Genentech Inc., South San Francisco, CA, USA., Skippington E; Bioinformatics & Computational Biology, Genentech Inc., South San Francisco, CA, USA., Sandoval W; Microchemistry, Proteomics & Lipidomics, Genentech Inc., South San Francisco, CA, USA., Hanan EJ; Discovery Chemistry Departments, Genentech Inc., South San Francisco, CA, USA. hanan.emily@gene.com., Payandeh J; Structural Biology, Genentech Inc., South San Francisco, CA, USA. payandeh.jian@gene.com.; Infectious Diseases, Genentech Inc., South San Francisco, CA, USA. payandeh.jian@gene.com., Rutherford ST; Infectious Diseases, Genentech Inc., South San Francisco, CA, USA. rutherford.steven@gene.com.

المصدر: Nature [Nature] 2020 Aug; Vol. 584 (7821), pp. 479-483. Date of Electronic Publication: 2020 Aug 12.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-4687 (Electronic) Linking ISSN: 00280836 NLM ISO Abbreviation: Nature Subsets: MEDLINE

مواضيع طبية MeSH: Cell Membrane/*chemistry , Escherichia coli/*chemistry , Escherichia coli/*pathogenicity , Escherichia coli Proteins/*chemistry , Escherichia coli Proteins/*metabolism , Lipopolysaccharides/*chemistry , Lipopolysaccharides/*metabolism, Amidohydrolases/chemistry ; Amidohydrolases/metabolism ; Amino Acid Motifs ; Bacterial Outer Membrane/chemistry ; Bacterial Outer Membrane/metabolism ; Binding Sites ; Cell Membrane/metabolism ; Enzyme Stability ; Escherichia coli/cytology ; Escherichia coli/drug effects ; Genes, Essential ; Hydrolases/chemistry ; Hydrolases/metabolism ; Lipid A/chemistry ; Lipid A/metabolism ; Lipopolysaccharides/biosynthesis ; Microbial Sensitivity Tests ; Microbial Viability/drug effects ; Models, Molecular ; Peptide Fragments/chemistry ; Peptide Fragments/metabolism ; Peptide Fragments/pharmacology ; Periplasm/chemistry ; Periplasm/metabolism ; Protein Binding ; Virulence

المؤلفون: Ferrar JA; Small Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Sellers BD; Small Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA; Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Chan C; Small Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA., Leung DH; Small Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: leung.dennis@gene.com.

المصدر: International journal of pharmaceutics [Int J Pharm] 2020 Mar 30; Vol. 578, pp. 119094. Date of Electronic Publication: 2020 Jan 29.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier/North-Holland Biomedical Press Country of Publication: Netherlands NLM ID: 7804127 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-3476 (Electronic) Linking ISSN: 03785173 NLM ISO Abbreviation: Int J Pharm Subsets: MEDLINE

مواضيع طبية MeSH: Excipients/*chemistry , Nanoparticles/*chemistry, Chemistry, Pharmaceutical ; Hydrophobic and Hydrophilic Interactions ; Indomethacin/chemistry ; Itraconazole/chemistry ; Models, Molecular ; Naproxen/chemistry ; Particle Size ; Suspensions

المؤلفون: Parr BT; Genentech, South San Francisco, California 94080, United States., Pastor R; Genentech, South San Francisco, California 94080, United States., Sellers BD; Genentech, South San Francisco, California 94080, United States., Pei Z; Genentech, South San Francisco, California 94080, United States., Jaipuri FA; NewLink Genetics, Ames, Iowa 50010, United States., Castanedo GM; Genentech, South San Francisco, California 94080, United States., Gazzard L; Genentech, South San Francisco, California 94080, United States., Kumar S; NewLink Genetics, Ames, Iowa 50010, United States., Li X; NewLink Genetics, Ames, Iowa 50010, United States., Liu W; Genentech, South San Francisco, California 94080, United States., Mendonca R; Genentech, South San Francisco, California 94080, United States., Pavana RK; NewLink Genetics, Ames, Iowa 50010, United States., Potturi H; NewLink Genetics, Ames, Iowa 50010, United States., Shao C; Pharmaron, Beijing 100176, People's Republic of China., Velvadapu V; NewLink Genetics, Ames, Iowa 50010, United States., Waldo JP; NewLink Genetics, Ames, Iowa 50010, United States., Wu G; Pharmaron, Beijing 100176, People's Republic of China., Yuen PW; Pharmaron, Beijing 100176, People's Republic of China., Zhang Z; NewLink Genetics, Ames, Iowa 50010, United States., Zhang Y; Pharmaron, Beijing 100176, People's Republic of China., Harris SF; Genentech, South San Francisco, California 94080, United States., Oh AJ; Genentech, South San Francisco, California 94080, United States., DiPasquale A; Genentech, South San Francisco, California 94080, United States., Dement K; Genentech, South San Francisco, California 94080, United States., La H; Genentech, South San Francisco, California 94080, United States., Goon L; Genentech, South San Francisco, California 94080, United States., Gustafson A; Genentech, South San Francisco, California 94080, United States., VanderPorten EC; Genentech, South San Francisco, California 94080, United States., Mautino MR; NewLink Genetics, Ames, Iowa 50010, United States., Liu Y; Genentech, South San Francisco, California 94080, United States.

المصدر: ACS medicinal chemistry letters [ACS Med Chem Lett] 2020 Mar 04; Vol. 11 (4), pp. 541-549. Date of Electronic Publication: 2020 Mar 04 (Print Publication: 2020).

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101521073 Publication Model: eCollection Cited Medium: Print ISSN: 1948-5875 (Print) Linking ISSN: 19485875 NLM ISO Abbreviation: ACS Med Chem Lett Subsets: PubMed not MEDLINE

المؤلفون: Hanson JE; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA. Electronic address: hanson.jesse@gene.com., Ma K; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA; Department of Neurology, University of California, San Francisco, San Francisco, CA 94158, USA., Elstrott J; Department of Biomedical Imaging, Genentech Inc., South San Francisco, CA 94080, USA., Weber M; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Saillet S; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA; Department of Neurology, University of California, San Francisco, San Francisco, CA 94158, USA., Khan AS; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA., Simms J; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA., Liu B; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA., Kim TA; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA., Yu GQ; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA., Chen Y; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Wang TM; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Jiang Z; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Liederer BM; Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., South San Francisco, CA 94080, USA., Deshmukh G; Department of Drug Metabolism and Pharmacokinetics, Genentech Inc., South San Francisco, CA 94080, USA., Solanoy H; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Chan C; Department of Pharmaceuticals, Genentech Inc., South San Francisco, CA 94080, USA., Sellers BD; Department of Discovery Chemistry, Genentech Inc., South San Francisco, CA 94080, USA., Volgraf M; Department of Discovery Chemistry, Genentech Inc., South San Francisco, CA 94080, USA., Schwarz JB; Department of Discovery Chemistry, Genentech Inc., South San Francisco, CA 94080, USA., Hackos DH; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Weimer RM; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA; Department of Biomedical Imaging, Genentech Inc., South San Francisco, CA 94080, USA., Sheng M; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Gill TM; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA., Scearce-Levie K; Department of Neuroscience, Genentech Inc., South San Francisco, CA 94080, USA., Palop JJ; Gladstone Institute of Neurological Disease, San Francisco, CA 94158, USA; Department of Neurology, University of California, San Francisco, San Francisco, CA 94158, USA. Electronic address: jorge.palop@gladstone.ucsf.edu.

المصدر: Cell reports [Cell Rep] 2020 Jan 14; Vol. 30 (2), pp. 381-396.e4.

نوع المنشور: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: Cell Press Country of Publication: United States NLM ID: 101573691 Publication Model: Print Cited Medium: Internet ISSN: 2211-1247 (Electronic) NLM ISO Abbreviation: Cell Rep Subsets: MEDLINE

مواضيع طبية MeSH: Alzheimer Disease/*drug therapy , Brain/*metabolism , Cognition/*drug effects , Cyclopropanes/*pharmacology , Epilepsies, Myoclonic/*drug therapy , Nitriles/*pharmacology , Receptors, N-Methyl-D-Aspartate/*metabolism , Thiazoles/*pharmacology, Allosteric Regulation/drug effects ; Alzheimer Disease/genetics ; Alzheimer Disease/metabolism ; Animals ; Behavior, Animal/drug effects ; Brain/drug effects ; CHO Cells ; Cricetulus ; Disease Models, Animal ; Epilepsies, Myoclonic/genetics ; Epilepsies, Myoclonic/metabolism ; Humans ; Male ; Mice ; Mice, Inbred C57BL ; Pyrazoles/pharmacology ; Receptors, N-Methyl-D-Aspartate/agonists