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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4IF8.A | SERPINA12

General Structure Information 4if8 SERPINA12 structure of vaspin 2.08Å AUTH J.T.HEIKER,N.KLOTING,P.KOVACS,E.B.KUETTNER,N.STRATER,AUTH 2 S.SCHULTZ,M.KERN,M.STUMVOLL,M.BLUHER,A.G.BECK-SICKINGERTITL VASPIN INHIBITS KALLIKREIN 7 BY SERPIN MECHANISMREF CELL.MOL.LIFE SCI. V. 70 2569 2013REFN ISSN 1420-682XPMID 23370777DOI 10.1007/S00018-013-1258-8 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants

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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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4K6J.A | WAPAL

General Structure Information 4k6j WAPAL human cohesin inhibitor wapl 2.62Å AUTH Z.OUYANG,G.ZHENG,J.SONG,D.M.BOREK,Z.OTWINOWSKI,AUTH 2 C.A.BRAUTIGAM,D.R.TOMCHICK,S.RANKIN,H.YUTITL STRUCTURE OF THE HUMAN COHESIN INHIBITOR WAPL.REF PROC.NATL.ACAD.SCI.USA V. 110 11355 2013REFN ISSN 0027-8424PMID 23776203DOI 10.1073/PNAS.1304594110 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants

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4DLJ.A | MAPK14

General Structure Information 4dlj MAPK14 human p38 map kinase in complex with rl163 2.6Å AUTH M.GETLIK,J.R.SIMARD,M.TERMATHE,C.GRUTTER,M.RABILLER,AUTH 2 W.A.VAN OTTERLO,D.RAUHTITL FLUOROPHORE LABELED KINASE DETECTS LIGANDS THAT BIND WITHINTITL 2 THE MAPK INSERT OF P38ALPHA KINASE.REF PLOS ONE V. 7 39713 2012REFN ESSN 1932-6203PMID 22768308DOI 10.1371/JOURNAL.PONE.0039713 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped […]

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3FGA.D | SGOL1

General Structure Information 3fga SGOL1 structural basis of pp2a and sgo interaction 2.7Å AUTH Z.XU,B.CETIN,M.ANGER,U.S.CHO,W.HELMHART,K.NASMYTH,W.XUTITL STRUCTURE AND FUNCTION OF THE PP2A-SHUGOSHIN INTERACTIONREF MOL.CELL V. 35 426 2009REFN ISSN 1097-2765PMID 19716788DOI 10.1016/J.MOLCEL.2009.06.031 Variant Set Distributions Mapped Variants

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4NJ4.A | ALKBH5

General Structure Information 4nj4 ALKBH5 crystal structure of human alkbh5 2.02Å AUTH W.AIK,J.S.SCOTTI,H.CHOI,L.GONG,M.DEMETRIADES,C.J.SCHOFIELD,AUTH 2 M.A.MCDONOUGHTITL STRUCTURE OF HUMAN RNA N6-METHYLADENINE DEMETHYLASE ALKBH5TITL 2 PROVIDES INSIGHTS INTO ITS MECHANISMS OF NUCLEIC ACIDTITL 3 RECOGNITION AND DEMETHYLATION.REF NUCLEIC ACIDS RES. V. 42 4741 2014REFN ISSN 0305-1048PMID 24489119DOI 10.1093/NAR/GKU085 Variant Set Distributions Mapped Variants

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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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