4GJ3.A | TYK2

General Structure Information 4gj3 TYK2 tyk2 (jh1) in complex with 2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2- fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide 2.5Å AUTH J.LIANG,A.VAN ABBEMA,M.BALAZS,K.BARRETT,L.BEREZHKOVSKY,AUTH 2 W.BLAIR,C.CHANG,D.DELAROSA,J.DEVOSS,J.DRISCOLL,C.EIGENBROT,AUTH 3 N.GHILARDI,P.GIBBONS,J.HALLADAY,A.JOHNSON,P.B.KOHLI,Y.LAI,AUTH 4 Y.LIU,J.LYSSIKATOS,P.MANTIK,K.MENGHRAJANI,J.MURRAY,I.PENG,AUTH 5 A.SAMBRONE,S.SHIA,Y.SHIN,J.SMITH,S.SOHN,V.TSUI,M.ULTSCH,AUTH 6 L.C.WU,Y.XIAO,W.YANG,J.YOUNG,B.ZHANG,B.Y.ZHU,S.MAGNUSONTITL LEAD OPTIMIZATION OF A 4-AMINOPYRIDINE BENZAMIDE SCAFFOLD TOTITL 2 IDENTIFY POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE TYK2TITL 3 INHIBITORS.REF J.MED.CHEM. V. 56 4521 2013REFN ISSN 0022-2623PMID 23668484DOI 10.1021/JM400266T Variant Set […]

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3V5W.A | ADRBK1

General Structure Information 3v5w ADRBK1 human g protein-coupled receptor kinase 2 in complex with soluble gbetagamma subunits and paroxetine 2.07Å AUTH D.M.THAL,K.T.HOMAN,J.CHEN,E.K.WU,P.M.HINKLE,Z.M.HUANG,AUTH 2 J.K.CHUPRUN,J.SONG,E.GAO,J.Y.CHEUNG,L.A.SKLAR,W.J.KOCH,AUTH 3 J.J.TESMERTITL PAROXETINE IS A DIRECT INHIBITOR OF G PROTEIN-COUPLEDTITL 2 RECEPTOR KINASE 2 AND INCREASES MYOCARDIAL CONTRACTILITY.REF ACS CHEM.BIOL. V. 7 1830 2012REFN ISSN 1554-8929PMID 22882301DOI 10.1021/CB3003013 Variant Set Distributions […]

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3TXO.A | PRKCH

General Structure Information 3txo PRKCH pkc eta kinase in complex with a naphthyridine 2.05Å AUTH M.J.VAN EIS,J.P.EVENOU,P.FLOERSHEIM,C.GAUL,S.W.COWAN-JACOB,AUTH 2 L.MONOVICH,G.RUMMEL,W.SCHULER,W.STARK,A.STRAUSS,A.MATT,AUTH 3 E.VANGREVELINGHE,J.WAGNER,N.SOLDERMANNTITL 2,6-NAPHTHYRIDINES AS POTENT AND SELECTIVE INHIBITORS OF THETITL 2 NOVEL PROTEIN KINASE C ISOZYMES.REF BIOORG.MED.CHEM.LETT. V. 21 7367 2011REFN ISSN 0960-894XPMID 22078216DOI 10.1016/J.BMCL.2011.10.025 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped […]

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3IPY.A | DCK

General Structure Information 3ipy DCK x-ray structure of human deoxycytidine kinase in complex with an inhibitor 2.54Å AUTH T.C.JESSOP,J.E.TARVER,M.CARLSEN,A.XU,J.P.HEALY,AUTH 2 A.HEIM-RIETHER,Q.FU,J.A.TAYLOR,D.J.AUGERI,M.SHEN,T.R.STOUCH,AUTH 3 R.V.SWANSON,L.W.TARI,M.HUNTER,I.HOFFMAN,P.E.KEYES,X.C.YU,AUTH 4 M.MIRANDA,Q.LIU,J.C.SWAFFIELD,S.DAVID KIMBALL,A.NOURALDEEN,AUTH 5 A.G.WILSON,A.M.FOUSHEE,K.JHAVER,R.FINCH,S.ANDERSON,AUTH 6 T.ORAVECZ,K.G.CARSONTITL LEAD OPTIMIZATION AND STRUCTURE-BASED DESIGN OF POTENT ANDTITL 2 BIOAVAILABLE DEOXYCYTIDINE KINASE INHIBITORS.REF BIOORG.MED.CHEM.LETT. V. 19 6784 2009REFN ISSN 0960-894XPMID 19836232DOI 10.1016/J.BMCL.2009.09.081 Variant Set Distributions […]

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4IVC.B | JAK1

General Structure Information 4ivc JAK1 jak1 kinase (jh1 domain) in complex with the inhibitor (trans-4-{2- [(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)- yl}cyclohexyl)acetonitrile 2.35Å AUTH M.ZAK,C.A.HURLEY,S.I.WARD,P.BERGERON,K.BARRETT,M.BALAZS,AUTH 2 W.S.BLAIR,R.BULL,P.CHAKRAVARTY,C.CHANG,P.CRACKETT,AUTH 3 G.DESHMUKH,J.DEVOSS,P.S.DRAGOVICH,C.EIGENBROT,C.ELLWOOD,AUTH 4 S.GAINES,N.GHILARDI,P.GIBBONS,S.GRADL,P.GRIBLING,C.HAMMAN,AUTH 5 E.HARSTAD,P.HEWITT,A.JOHNSON,T.JOHNSON,J.R.KENNY,AUTH 6 M.F.KOEHLER,P.BIR KOHLI,S.LABADIE,W.P.LEE,J.LIAO,M.LIIMATTA,AUTH 7 R.MENDONCA,R.NARUKULLA,R.PULK,A.REEVE,S.SAVAGE,S.SHIA,AUTH 8 M.STEFFEK,S.UBHAYAKAR,A.VAN ABBEMA,I.ALIAGAS,AUTH 9 B.AVITABILE-WOO,Y.XIAO,J.YANG,J.J.KULAGOWSKITITL IDENTIFICATION OF C-2 HYDROXYETHYL IMIDAZOPYRROLOPYRIDINESTITL 2 AS POTENT JAK1 INHIBITORS WITH FAVORABLE PHYSICOCHEMICALTITL 3 PROPERTIES AND HIGH […]

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3OWP.A | PRKACA

General Structure Information 3owp PRKACA human camp-dependent protein kinase in complex with an inhibitor 1.88Å AUTH H.KOESTER,T.CRAAN,S.BRASS,A.HEINE,G.KLEBETITL FRAGMENT BASED DRUG DESIGN ON PKAREF TO BE PUBLISHEDREFN Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants

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3N46.F | FDPS

General Structure Information 3n46 FDPS human fpps complex with nov_980 and zoledronic acid/mg2+ 2.35Å AUTH W.JAHNKE,J.M.RONDEAU,S.COTESTA,A.MARZINZIK,X.PELLE,M.GEISER,AUTH 2 A.STRAUSS,M.GOTTE,F.BITSCH,R.HEMMIG,C.HENRY,S.LEHMANN,AUTH 3 J.F.GLICKMAN,T.P.RODDY,S.J.STOUT,J.R.GREENTITL ALLOSTERIC NON-BISPHOSPHONATE FPPS INHIBITORS IDENTIFIED BYTITL 2 FRAGMENT-BASED DISCOVERY.REF NAT.CHEM.BIOL. V. 6 660 2010REFN ISSN 1552-4450PMID 20711197DOI 10.1038/NCHEMBIO.421 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants

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4E93.A | FES

General Structure Information 4e93 FES crystal structure of human feline sarcoma viral oncogene homologue (v- fes)in complex with tae684 1.84Å AUTH S.HELLWIG,C.V.MIDUTURU,S.KANDA,J.ZHANG,P.FILIPPAKOPOULOS,AUTH 2 E.SALAH,X.DENG,H.G.CHOI,W.ZHOU,W.HUR,S.KNAPP,N.S.GRAY,AUTH 3 T.E.SMITHGALLTITL SMALL-MOLECULE INHIBITORS OF THE C-FES PROTEIN-TYROSINETITL 2 KINASE.REF CHEM.BIOL. V. 19 529 2012REFN ISSN 1074-5521PMID 22520759DOI 10.1016/J.CHEMBIOL.2012.01.020 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity […]

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3R01.A | PIM1

General Structure Information 3r01 PIM1 the discovery of novel benzofuran-2-carboxylic acids as potent pim-1 inhibitors 2.6Å AUTH Y.XIANG,B.HIRTH,G.ASMUSSEN,H.P.BIEMANN,K.A.BISHOP,A.GOOD,AUTH 2 M.FITZGERALD,T.GLADYSHEVA,A.JAIN,K.JANCSICS,J.LIU,M.METZ,AUTH 3 A.PAPOULIS,R.SKERLJ,J.D.STEPP,R.R.WEITITL THE DISCOVERY OF NOVEL BENZOFURAN-2-CARBOXYLIC ACIDS ASTITL 2 POTENT PIM-1 INHIBITORS.REF BIOORG.MED.CHEM.LETT. V. 21 3050 2011REFN ISSN 0960-894XPMID 21507633DOI 10.1016/J.BMCL.2011.03.030 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants

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3RHK.B | MET

General Structure Information 3rhk MET crystal structure of the catalytic domain of c-met kinase in complex with arq 197 1.94Å AUTH S.EATHIRAJ,R.PALMA,E.VOLCKOVA,M.HIRSCHI,D.S.FRANCE,AUTH 2 M.A.ASHWELL,T.C.CHANTITL DISCOVERY OF A NOVEL MODE OF PROTEIN KINASE INHIBITIONTITL 2 CHARACTERIZED BY THE MECHANISM OF INHIBITION OF HUMANTITL 3 MESENCHYMAL-EPITHELIAL TRANSITION FACTOR (C-MET) PROTEINTITL 4 AUTOPHOSPHORYLATION BY ARQ 197.REF J.BIOL.CHEM. V. […]

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