2ZV2.A | CAMKK2

General Structure Information 2zv2 CAMKK2 crystal structure of human calcium/calmodulin-dependent protein kinase kinase 2, beta, camkk2 kinase domain in complex with sto-609 2.4Å AUTH M.KUKIMOTO-NIINO,S.YOSHIKAWA,T.TAKAGI,N.OHSAWA,Y.TOMABECHI,AUTH 2 T.TERADA,M.SHIROUZU,A.SUZUKI,S.LEE,T.YAMAUCHI,M.OKADA-IWABU,AUTH 3 M.IWABU,T.KADOWAKI,Y.MINOKOSHI,S.YOKOYAMATITL CRYSTAL STRUCTURE OF THE CA2+/CALMODULIN-DEPENDENT PROTEINTITL 2 KINASE KINASE IN COMPLEX WITH THE INHIBITOR STO-609REF J.BIOL.CHEM. V. 286 22570 2011REFN ISSN 0021-9258PMID 21504895DOI 10.1074/JBC.M111.251710 Variant Set […]

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3RJW.A | EHMT2

General Structure Information 3rjw EHMT2 crystal structure of histone lysine methyltransferase g9a with an inhibitor 2.56Å AUTH M.VEDADI,D.BARSYTE-LOVEJOY,F.LIU,S.RIVAL-GERVIER,AUTH 2 A.ALLALI-HASSANI,V.LABRIE,T.J.WIGLE,P.A.DIMAGGIO,G.A.WASNEY,AUTH 3 A.SIARHEYEVA,A.DONG,W.TEMPEL,S.C.WANG,X.CHEN,I.CHAU,AUTH 4 T.J.MANGANO,X.P.HUANG,C.D.SIMPSON,S.G.PATTENDEN,J.L.NORRIS,AUTH 5 D.B.KIREEV,A.TRIPATHY,A.EDWARDS,B.L.ROTH,W.P.JANZEN,AUTH 6 B.A.GARCIA,A.PETRONIS,J.ELLIS,P.J.BROWN,S.V.FRYE,AUTH 7 C.H.ARROWSMITH,J.JINTITL A CHEMICAL PROBE SELECTIVELY INHIBITS G9A AND GLPTITL 2 METHYLTRANSFERASE ACTIVITY IN CELLS.REF NAT.CHEM.BIOL. V. 7 566 2011REFN ISSN 1552-4450PMID 21743462DOI 10.1038/NCHEMBIO.599 Variant Set Distributions […]

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4F0D.A | PARP16

General Structure Information 4f0d PARP16 human artd15/parp16 in complex with 3-aminobenzamide 2.7Å AUTH T.KARLBERG,A.G.THORSELL,A.KALLAS,H.SCHULERTITL CRYSTAL STRUCTURE OF HUMAN ADP-RIBOSE TRANSFERASETITL 2 ARTD15/PARP16 REVEALS A NOVEL PUTATIVE REGULATORY DOMAIN.REF J.BIOL.CHEM. V. 287 24077 2012REFN ISSN 0021-9258PMID 22661712DOI 10.1074/JBC.M112.379289 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants

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4GEB.B | AADAT

General Structure Information 4geb AADAT kynurenine aminotransferase ii inhibitors 2.15Å AUTH A.B.DOUNAY,M.ANDERSON,B.M.BECHLE,E.EVRARD,X.GAN,J.Y.KIM,AUTH 2 L.A.MCALLISTER,J.PANDIT,S.RONG,M.A.SALAFIA,J.B.TUTTLE,AUTH 3 L.E.ZAWADZKE,P.R.VERHOESTTITL PF-04859989 AS A TEMPLATE FOR STRUCTURE-BASED DRUG DESIGN:TITL 2 IDENTIFICATION OF NEW PYRAZOLE SERIES OF IRREVERSIBLE KAT IITITL 3 INHIBITORS WITH IMPROVED LIPOPHILIC EFFICIENCY.REF BIOORG.MED.CHEM.LETT. V. 23 1961 2013REFN ISSN 0960-894XPMID 23466229DOI 10.1016/J.BMCL.2013.02.039 Variant Set Distributions Ripley’s K Analysis […]

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4EKG.A | DOT1L

General Structure Information 4ekg DOT1L crystal structure of dot1l in complex with epz003696 2.8Å AUTH A.BASAVAPATHRUNI,L.JIN,S.R.DAIGLE,C.R.MAJER,C.A.THERKELSEN,AUTH 2 T.J.WIGLE,K.W.KUNTZ,R.CHESWORTH,R.M.POLLOCK,M.P.SCOTT,AUTH 3 M.P.MOYER,V.M.RICHON,R.A.COPELAND,E.J.OLHAVATITL CONFORMATIONAL ADAPTATION DRIVES POTENT, SELECTIVE ANDTITL 2 DURABLE INHIBITION OF THE HUMAN PROTEIN METHYLTRANSFERASETITL 3 DOT1L.REF CHEM.BIOL.DRUG DES. V. 80 971 2012REFN ISSN 1747-0277PMID 22978415DOI 10.1111/CBDD.12050 Variant Set Distributions Ripley’s K Analysis Plots Variant Set […]

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3V5Q.B | NTRK3

General Structure Information 3v5q NTRK3 discovery of a selective trk inhibitor with efficacy in rodent cancer tumor models 2.2Å AUTH P.ALBAUGH,Y.FAN,Y.MI,F.SUN,F ADRIAN,N.LI,Y.YIA,Y.SARKISOVA,AUTH 2 A.KREUSCH,T.HOOD,M.LU,G.LIU,S.HUANG,Z.LIU,J.LOREN,AUTH 3 T.TUNTLAND,D.S.KARANEWSKY,H.M.SEIDEL,V.MOLTENITITL DISCOVERY OF GNF-5837, A SELECTIVE TRK INHIBITOR WITHTITL 2 EFFICACY IN RODENT CANCER TUMOR MODELSREF ACS MED.CHEM.LETT. 2012REFN ISSN 1948-5875DOI 10.1021/ML200261D Variant Set Distributions Ripley’s K Analysis Plots Variant […]

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3SHE.A | MAPKAPK3

General Structure Information 3she MAPKAPK3 novel atp-competitive mk2 inhibitors with potent biochemical and cell- based activity throughout the series 2.25Å AUTH A.OUBRIE,A.KAPTEIN,E.DE ZWART,N.HOOGENBOOM,R.GOORDEN,AUTH 2 B.VAN DE KAR,M.VAN HOEK,V.DE KIMPE,R.VAN DER HEIJDEN,AUTH 3 J.BORSBOOM,B.KAZEMIER,J.DE ROOS,M.SCHEFFERS,J.LOMMERSE,AUTH 4 C.SCHULTZ-FADEMRECHT,T.BARFTITL NOVEL ATP COMPETITIVE MK2 INHIBITORS WITH POTENT BIOCHEMICALTITL 2 AND CELL-BASED ACTIVITY THROUGHOUT THE SERIES.REF BIOORG.MED.CHEM.LETT. V. 22 613 […]

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3TWJ.C | ROCK1

General Structure Information 3twj ROCK1 rho-associated protein kinase 1 (rock 1) in complex with rki1447 2.9Å AUTH R.A.PATEL,K.D.FORINASH,R.PIREDDU,Y.SUN,N.SUN,M.P.MARTIN,AUTH 2 E.SCHONBRUNN,N.J.LAWRENCE,S.M.SEBTITITL RKI-1447 IS A POTENT INHIBITOR OF THE RHO-ASSOCIATED ROCKTITL 2 KINASES WITH ANTI-INVASIVE AND ANTITUMOR ACTIVITIES INTITL 3 BREAST CANCER.REF CANCER RES. V. 72 5025 2012REFN ISSN 0008-5472PMID 22846914DOI 10.1158/0008-5472.CAN-12-0954 Variant Set Distributions Ripley’s K […]

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4MQ2.D | DYRK1A

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 […]

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3U7U.C | ERBB4

General Structure Information 3u7u ERBB4 crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta 3.03Å AUTH P.LIU,T.E.CLEVELAND,S.BOUYAIN,P.O.BYRNE,P.A.LONGO,D.J.LEAHYTITL A SINGLE LIGAND IS SUFFICIENT TO ACTIVATE EGFR DIMERS.REF PROC.NATL.ACAD.SCI.USA V. 109 10861 2012REFN ISSN 0027-8424PMID 22699492DOI 10.1073/PNAS.1201114109 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants

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