Assessment of Structural Intolerance and Durability
General Structure Information 2q5a PIN1 human pin1 bound to l-peptide 1.5Å AUTH Y.ZHANG,S.DAUM,D.WILDEMANN,X.Z.ZHOU,M.A.VERDECIA,M.E.BOWMAN,AUTH 2 C.LUCKE,T.HUNTER,K.P.LU,G.FISCHER,J.P.NOELTITL STRUCTURAL BASIS FOR HIGH-AFFINITY PEPTIDE INHIBITION OFTITL 2 HUMAN PIN1.REF ACS CHEM.BIOL. V. 2 320 2007REFN ISSN 1554-8929PMID 17518432DOI 10.1021/CB7000044 Variant Set Distributions Mapped Variants
General Structure Information 4mq2 DYRK1A the crystal structure of dyrk1a with a bound pyrido[2,3-d]pyrimidine inhibitor 2.8Å AUTH K.ANDERSON,Y.CHEN,Z.CHEN,R.DOMINIQUE,K.GLENN,Y.HE,C.JANSON,AUTH 2 K.C.LUK,C.LUKACS,A.POLONSKAIA,Q.QIAO,A.RAILKAR,P.ROSSMAN,AUTH 3 H.SUN,Q.XIANG,M.VILENCHIK,P.WOVKULICH,X.ZHANGTITL PYRIDO[2,3-D]PYRIMIDINES: DISCOVERY AND PRELIMINARY SAR OF ATITL 2 NOVEL SERIES OF DYRK1B AND DYRK1A INHIBITORS.REF BIOORG.MED.CHEM.LETT. V. 23 6610 2013REFN ISSN 0960-894XPMID 24239188DOI 10.1016/J.BMCL.2013.10.055 Variant Set Distributions Ripley’s K Analysis Plots Variant Set […]
General Structure Information 4itj RIPK1 crystal structure of rip1 kinase in complex with necrostatin-4 1.8Å AUTH T.XIE,W.PENG,Y.LIU,C.YAN,J.MAKI,A.DEGTEREV,J.YUAN,Y.SHITITL STRUCTURAL BASIS OF RIP1 INHIBITION BY NECROSTATINS.REF STRUCTURE V. 21 493 2013REFN ISSN 0969-2126PMID 23473668DOI 10.1016/J.STR.2013.01.016 Variant Set Distributions Mapped Variants
General Structure Information 4itj RIPK1 crystal structure of rip1 kinase in complex with necrostatin-4 1.8Å AUTH T.XIE,W.PENG,Y.LIU,C.YAN,J.MAKI,A.DEGTEREV,J.YUAN,Y.SHITITL STRUCTURAL BASIS OF RIP1 INHIBITION BY NECROSTATINS.REF STRUCTURE V. 21 493 2013REFN ISSN 0969-2126PMID 23473668DOI 10.1016/J.STR.2013.01.016 Variant Set Distributions Mapped Variants
General Structure Information 4itj RIPK1 crystal structure of rip1 kinase in complex with necrostatin-4 1.8Å AUTH T.XIE,W.PENG,Y.LIU,C.YAN,J.MAKI,A.DEGTEREV,J.YUAN,Y.SHITITL STRUCTURAL BASIS OF RIP1 INHIBITION BY NECROSTATINS.REF STRUCTURE V. 21 493 2013REFN ISSN 0969-2126PMID 23473668DOI 10.1016/J.STR.2013.01.016 Variant Set Distributions Mapped Variants
General Structure Information 2z7q RPS6KA1 crystal structure of the n-terminal kinase domain of human rsk-1 bound to amp-pcp 2.0Å AUTH M.IKUTA,M.KORNIENKO,N.BYRNE,J.C.REID,S.MIZUARAI,H.KOTANI,AUTH 2 S.K.MUNSHITITL CRYSTAL STRUCTURES OF THE N-TERMINAL KINASE DOMAIN OF HUMANTITL 2 RSK1 BOUND TO THREE DIFFERENT LIGANDS: IMPLICATIONS FOR THETITL 3 DESIGN OF RSK1 SPECIFIC INHIBITORS.REF PROTEIN SCI. V. 16 2626 2007REFN ISSN […]
General Structure Information 4b95 TCEB1 pvhl-elob-elob-elocc complex_(2s,4r)-1-(2-chlorophenyl)carbonyl-n-[ (4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound 2.8Å AUTH D.L.BUCKLEY,J.L.GUSTAFSON,I.VAN MOLLE,A.G.ROTH,H.S.TAE,AUTH 2 P.C.GAREISS,W.L.JORGENSEN,A.CIULLI,C.M.CREWSTITL SMALL-MOLECULE INHIBITORS OF THE INTERACTION BETWEEN THE E3TITL 2 LIGASE VHL AND HIF1ALPHAREF ANGEW.CHEM.INT.ED.ENGL. V. 51 11463 2012REFN ISSN 1433-7851PMID 23065727DOI 10.1002/ANIE.201206231 Variant Set Distributions Mapped Variants
General Structure Information 4b95 TCEB1 pvhl-elob-elob-elocc complex_(2s,4r)-1-(2-chlorophenyl)carbonyl-n-[ (4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound 2.8Å AUTH D.L.BUCKLEY,J.L.GUSTAFSON,I.VAN MOLLE,A.G.ROTH,H.S.TAE,AUTH 2 P.C.GAREISS,W.L.JORGENSEN,A.CIULLI,C.M.CREWSTITL SMALL-MOLECULE INHIBITORS OF THE INTERACTION BETWEEN THE E3TITL 2 LIGASE VHL AND HIF1ALPHAREF ANGEW.CHEM.INT.ED.ENGL. V. 51 11463 2012REFN ISSN 1433-7851PMID 23065727DOI 10.1002/ANIE.201206231 Variant Set Distributions Mapped Variants
General Structure Information 4mp7 PDK2 crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor pa7 1.8Å AUTH S.C.TSO,X.QI,W.J.GUI,C.Y.WU,J.L.CHUANG,AUTH 2 I.WERNSTEDT-ASTERHOLM,L.K.MORLOCK,K.R.OWENS,P.E.SCHERER,AUTH 3 N.S.WILLIAMS,U.K.TAMBAR,R.M.WYNN,D.T.CHUANGTITL STRUCTURE-GUIDED DEVELOPMENT OF SPECIFIC PYRUVATETITL 2 DEHYDROGENASE KINASE INHIBITORS TARGETING THE ATP-BINDINGTITL 3 POCKET.REF J.BIOL.CHEM. V. 289 4432 2014REFN ISSN 0021-9258PMID 24356970DOI 10.1074/JBC.M113.533885 Variant Set Distributions Mapped Variants
General Structure Information 4mp7 PDK2 crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor pa7 1.8Å AUTH S.C.TSO,X.QI,W.J.GUI,C.Y.WU,J.L.CHUANG,AUTH 2 I.WERNSTEDT-ASTERHOLM,L.K.MORLOCK,K.R.OWENS,P.E.SCHERER,AUTH 3 N.S.WILLIAMS,U.K.TAMBAR,R.M.WYNN,D.T.CHUANGTITL STRUCTURE-GUIDED DEVELOPMENT OF SPECIFIC PYRUVATETITL 2 DEHYDROGENASE KINASE INHIBITORS TARGETING THE ATP-BINDINGTITL 3 POCKET.REF J.BIOL.CHEM. V. 289 4432 2014REFN ISSN 0021-9258PMID 24356970DOI 10.1074/JBC.M113.533885 Variant Set Distributions Mapped Variants