2OPH.A | DPP4

General Structure Information 2oph DPP4 human dipeptidyl peptidase iv in complex with an alpha amino acid inhibitor 2.4Å AUTH J.L.DUFFY,B.A.KIRK,L.WANG,G.J.EIERMANN,H.HE,B.LEITING,AUTH 2 K.A.LYONS,R.A.PATEL,S.B.PATEL,A.PETROV,G.SCAPIN,J.K.WU,AUTH 3 N.A.THORNBERRY,A.E.WEBERTITL 4-AMINOPHENYLALANINE AND 4-AMINOCYCLOHEXYLALANINETITL 2 DERIVATIVES AS POTENT, SELECTIVE, AND ORALLY BIOAVAILABLETITL 3 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV.REF BIOORG.MED.CHEM.LETT. V. 17 2879 2007REFN ISSN 0960-894XPMID 17350841DOI 10.1016/J.BMCL.2007.02.066 Variant Set Distributions Ripley’s K […]

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3QTZ.A | CDK2

General Structure Information 3qtz CDK2 cdk2 in complex with inhibitor rc-2-36 2.0Å AUTH E.SCHONBRUNN,S.BETZI,R.ALAM,M.P.MARTIN,A.BECKER,H.HAN,AUTH 2 R.FRANCIS,R.CHAKRASALI,S.JAKKARAJ,A.KAZI,S.M.SEBTI,AUTH 3 C.L.CUBITT,A.W.GEBHARD,L.A.HAZLEHURST,J.S.TASH,G.I.GEORGTITL DEVELOPMENT OF HIGHLY POTENT AND SELECTIVE DIAMINOTHIAZOLETITL 2 INHIBITORS OF CYCLIN-DEPENDENT KINASES.REF J.MED.CHEM. V. 56 3768 2013REFN ISSN 0022-2623PMID 23600925DOI 10.1021/JM301234K Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants

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2IRW.C | HSD11B1

General Structure Information 2irw HSD11B1 human 11-beta-hydroxysteroid dehydrogenase (hsd1) with nadp and adamantane ether inhibitor 3.1Å AUTH J.R.PATEL,Q.SHUAI,J.DINGES,M.WINN,M.PLIUSHCHEV,S.FUNG,AUTH 2 K.MONZON,W.CHIOU,J.WANG,L.PAN,S.WAGAW,K.ENGSTROM,AUTH 3 F.A.KERDESKY,K.LONGENECKER,R.JUDGE,W.QIN,H.M.IMADE,AUTH 4 D.STOLARIK,D.W.BENO,M.BRUNE,L.E.CHOVAN,H.L.SHAM,P.JACOBSON,AUTH 5 J.T.LINKTITL DISCOVERY OF ADAMANTANE ETHERS AS INHIBITORS OFTITL 2 11BETA-HSD-1: SYNTHESIS AND BIOLOGICAL EVALUATION.REF BIOORG.MED.CHEM.LETT. V. 17 750 2007REFN ISSN 0960-894XPMID 17110106DOI 10.1016/J.BMCL.2006.10.074 Variant Set Distributions Ripley’s K Analysis Plots […]

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1ND5.A | ACPP

General Structure Information 1nd5 ACPP crystal structures of human prostatic acid phosphatase in complex with a phosphate ion and alpha-benzylaminobenzylphosphonic acid update the mechanistic picture and offer new insights into inhibitor design 2.9Å AUTH E.ORTLUND,M.W.LACOUNT,L.LEBIODATITL CRYSTAL STRUCTURES OF HUMAN PROSTATIC ACID PHOSPHATASE INTITL 2 COMPLEX WITH A PHOSPHATE ION ANDTITL 3 ALPHA-BENZYLAMINOBENZYLPHOSPHONIC ACID UPDATE THETITL […]

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2PQT.A | NAT1

General Structure Information 2pqt NAT1 human n-acetyltransferase 1 1.78Å AUTH H.WU,L.DOMBROVSKY,W.TEMPEL,F.MARTIN,P.LOPPNAU,AUTH 2 G.H.GOODFELLOW,D.M.GRANT,A.N.PLOTNIKOVTITL STRUCTURAL BASIS OF SUBSTRATE-BINDING SPECIFICITYTITL 2 OF HUMAN ARYLAMINE N-ACETYLTRANSFERASES.REF J.BIOL.CHEM. V. 282 30189 2007REFN ISSN 0021-9258PMID 17656365DOI 10.1074/JBC.M704138200 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants

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3HNG.A | FLT1

General Structure Information 3hng FLT1 crystal structure of vegfr1 in complex with n-(4-chlorophenyl)-2- ((pyridin-4-ylmethyl)amino)benzamide 2.7Å AUTH L.TRESAUGUES,A.ROOS,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,AUTH 2 R.COLLINS,A.M.EDWARDS,S.FLODIN,A.FLORES,S.GRASLUND,AUTH 3 M.HAMMARSTROM,A.JOHANSSON,I.JOHANSSON,T.KARLBERG,AUTH 4 T.KOTENYOVA,M.MOCHE,T.NYMAN,C.PERSSON,T.KRAGH-NIELSEN,AUTH 5 A.KOTZCH,J.SAGEMARK,H.SCHUELER,P.SCHUTZ,M.I.SIPONEN,AUTH 6 L.SVENSSON,A.G.THORSELL,S.VAN DER BERG,J.WEIGELT,M.WELIN,AUTH 7 M.WISNIEWSKA,P.NORDLUNDTITL CRYSTAL STRUCTURE OF VEGFR1 IN COMPLEX WITHTITL 2 N-(4-CHLOROPHENYL)-2-((PYRIDIN-4-YLMETHYL)AMINO)BENZAMIDEREF TO BE PUBLISHEDREFN Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity […]

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1CJL.A | CTSL

General Structure Information 1cjl CTSL crystal structure of a cysteine protease proform 2.2Å AUTH R.COULOMBE,P.GROCHULSKI,J.SIVARAMAN,R.MENARD,AUTH 2 J.S.MORT,M.CYGLERTITL STRUCTURE OF HUMAN PROCATHEPSIN L REVEALS THETITL 2 MOLECULAR BASIS OF INHIBITION BY THE PROSEGMENT.REF EMBO J. V. 15 5492 1996REFN ISSN 0261-4189PMID 8896443 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped […]

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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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1DIG.B | MTHFD1

General Structure Information 1dig MTHFD1 human methylenetetrahydrofolate dehydrogenase / cyclohydrolase complexed with nadp and inhibitor ly374571 2.2Å AUTH A.SCHMIDT,H.WU,R.E.MACKENZIE,V.J.CHEN,J.R.BEWLY,AUTH 2 J.E.RAY,J.E.TOTH,M.CYGLERTITL STRUCTURES OF THREE INHIBITOR COMPLEXES PROVIDETITL 2 INSIGHT INTO THE REACTION MECHANISM OF THE HUMANTITL 3 METHYLENETETRAHYDROFOLATETITL 4 DEHYDROGENASE/CYCLOHYDROLASE.REF BIOCHEMISTRY V. 39 6325 2000REFN ISSN 0006-2960PMID 10828945DOI 10.1021/BI992734Y Variant Set Distributions Mapped Variants

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2FGI.A | FGFR1

General Structure Information 2fgi FGFR1 crystal structure of the tyrosine kinase domain of fgf receptor 1 in complex with inhibitor pd173074 2.5Å AUTH M.MOHAMMADI,S.FROUM,J.M.HAMBY,M.C.SCHROEDER,AUTH 2 R.L.PANEK,G.H.LU,A.V.ELISEENKOVA,D.GREEN,AUTH 3 J.SCHLESSINGER,S.R.HUBBARDTITL CRYSTAL STRUCTURE OF AN ANGIOGENESIS INHIBITORTITL 2 BOUND TO THE FGF RECEPTOR TYROSINE KINASE DOMAIN.REF EMBO J. V. 17 5896 1998REFN ISSN 0261-4189PMID 9774334DOI 10.1093/EMBOJ/17.20.5896 Variant Set […]

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