About the Authors

David H. Drewry

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Supervision, Writing – original draft, Writing – review & editing

David.Drewry@unc.edu

Affiliation Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

Carrow I. Wells

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Visualization, Writing – original draft, Writing – review & editing

Affiliation Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

David M. Andrews

Roles Conceptualization

Affiliation AstraZeneca, Darwin Building, Cambridge Science Park, Cambridge, United Kingdom

Richard Angell

Roles Conceptualization, Writing – review & editing

Affiliation Drug Discovery Group, Translational Research Office, University College London School of Pharmacy, 29–39 Brunswick Square, London, United Kingdom

Hassan Al-Ali

Roles Conceptualization, Formal analysis, Methodology, Writing – review & editing

Affiliations Miami Project to Cure Paralysis, University of Miami Miller School of Medicine, Miami, Florida, United States of America, Peggy and Harold Katz Family Drug Discovery Center, University of Miami Miller School of Medicine, Miami, Florida, United States of America

Alison D. Axtman

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Writing – review & editing

Affiliation Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

Stephen J. Capuzzi

Roles Formal analysis, Writing – original draft

Affiliation Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

Jonathan M. Elkins

Roles Conceptualization, Writing – review & editing

Affiliation Structural Genomics Consortium, Universidade Estadual de Campinas—UNICAMP, Campinas, Sao Paulo, Brazil

Peter Ettmayer

Roles Conceptualization

Affiliation Boehringer Ingelheim RCV GmbH & Co KG, Vienna, Austria

Mathias Frederiksen

Roles Conceptualization

Affiliation Novartis Institutes for BioMedical Research, Novartis Campus, Basel, Switzerland

Opher Gileadi

Roles Conceptualization, Writing – review & editing

Affiliation Structural Genomics Consortium and Target Discovery Institute, Nuffield Department of Clinical Medicine, University of Oxford, Oxford, United Kingdom

Nathanael Gray

Roles Conceptualization

Affiliations Harvard Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, Massachusetts, United States of America, Department of Cancer Biology, Dana−Farber Cancer Institute, Boston, Massachusetts, United States of America

Alice Hooper

Roles Conceptualization, Data curation, Formal analysis

Affiliation Drug Discovery Group, Translational Research Office, University College London School of Pharmacy, 29–39 Brunswick Square, London, United Kingdom

Stefan Knapp

Roles Conceptualization, Writing – review & editing

Affiliation Structural Genomics Consortium, Buchmann Institute for Molecular Life Sciences, and Institute of Pharmaceutical Chemistry, Goethe University Frankfurt, Max-von-Laue-Straße 15, Frankfurt am Main, Germany

Stefan Laufer

Roles Conceptualization

Affiliation Department of Pharmaceutical Chemistry, Institute of Pharmaceutical Sciences, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 8, Tübingen, Germany

Ulrich Luecking

Roles Conceptualization

Affiliation Bayer Pharma AG, Drug Discovery, Müllerstrasse 178, Berlin, Germany

Michael Michaelides

Roles Conceptualization

Affiliation Oncology Chemistry, AbbVie, 1 North Waukegan Road, North Chicago, Illinois, United States of America

Susanne Müller

Roles Conceptualization, Writing – review & editing

Affiliation Structural Genomics Consortium, Buchmann Institute for Molecular Life Sciences, and Institute of Pharmaceutical Chemistry, Goethe University Frankfurt, Max-von-Laue-Straße 15, Frankfurt am Main, Germany

Eugene Muratov

Roles Formal analysis

Affiliation Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

R. Aldrin Denny

Roles Conceptualization

Affiliation Worldwide Medicinal Chemistry, Pfizer Inc., Cambridge, Massachusetts, United States of America

Kumar S. Saikatendu

Roles Conceptualization

Affiliation Global Research Externalization, Takeda California, Inc., 10410 Science Center Drive, San Diego, California, United States of America

Daniel K. Treiber

Roles Formal analysis, Visualization, Writing – review & editing

Affiliation DiscoverX Corporation,Fremont, California, United States of America

William J. Zuercher

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Writing – review & editing

Affiliation Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

Timothy M. Willson

Roles Conceptualization, Supervision, Writing – original draft, Writing – review & editing

Affiliation Structural Genomics Consortium, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

Competing Interests

David M. Andrews is an employee of the commercial company AstraZeneca. Peter Ettmayer is an employee of the commercial company Boehringer Ingelheim. Mathias Frederiksen is an employee of the commercial company Novartis Institute for Biomedical Research. Ulrich Luecking is an employee of the commercial company Bayer Pharma. Michael Michaelides is an employee of the commercial company AbbVie. R. Aldrin Denny is an employee of the commercial company Pfizer Inc. Kumar Saikatendu is an employee of the commercial company Takeda California, Inc. Dan Treiber is an employee of the commercial company DiscoverX Corporation. These commercial affiliations do not alter our adherence to all PLOS ONE policies on sharing data and materials.