Assessment of Structural Intolerance and Durability
General Structure Information 3qfv CDC42BPB mrck beta in complex with tpca-1 2.65Å AUTH T.HEIKKILA,E.WHEATLEY,D.CRIGHTON,E.SCHRODER,A.BOAKES,AUTH 2 S.J.KAYE,M.MEZNA,L.PANG,M.RUSHBROOKE,A.TURNBULL,M.F.OLSONTITL CO-CRYSTAL STRUCTURES OF INHIBITORS WITH MRCK BETA , A KEYTITL 2 REGULATOR OF TUMOR CELL INVASION.REF PLOS ONE V. 6 24825 2011REFN ESSN 1932-6203PMID 21949762DOI 10.1371/JOURNAL.PONE.0024825 Variant Set Distributions Mapped Variants
General Structure Information 2psx KLK5 crystal structure of human kallikrein 5 in complex with leupeptin 2.3Å AUTH M.DEBELA,P.GOETTIG,V.MAGDOLEN,R.HUBER,N.M.SCHECHTER,W.BODETITL STRUCTURAL BASIS OF THE ZINC INHIBITION OF HUMAN TISSUETITL 2 KALLIKREIN 5.REF J.MOL.BIOL. V. 373 1017 2007REFN ISSN 0022-2836PMID 17881000DOI 10.1016/J.JMB.2007.08.042 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 3soa CAMK2A full-length human camkii 3.55Å AUTH L.H.CHAO,M.M.STRATTON,I.H.LEE,O.S.ROSENBERG,J.LEVITZ,AUTH 2 D.J.MANDELL,T.KORTEMME,J.T.GROVES,H.SCHULMAN,J.KURIYANTITL A MECHANISM FOR TUNABLE AUTOINHIBITION IN THE STRUCTURE OF ATITL 2 HUMAN CA(2+)/CALMODULIN- DEPENDENT KINASE II HOLOENZYME.REF CELL(CAMBRIDGE,MASS.) V. 146 732 2011REFN ISSN 0092-8674PMID 21884935DOI 10.1016/J.CELL.2011.07.038 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 4jz1 ST14 crystal structure of matriptase in complex with inhibitor 1.9Å AUTH R.GOSWAMI,S.MUKHERJEE,G.WOHLFAHRT,C.GHADIYARAM,J.NAGARAJ,AUTH 2 B.R.CHANDRA,R.K.SISTLA,L.K.SATYAM,D.S.SAMIULLA,A.MOILANEN,AUTH 3 H.S.SUBRAMANYA,M.RAMACHANDRATITL DISCOVERY OF PYRIDYL BIS(OXY)DIBENZIMIDAMIDE DERIVATIVES ASTITL 2 SELECTIVE MATRIPTASE INHIBITORSREF ACS MED.CHEM.LETT. V. 4 1152 2013REFN ISSN 1948-5875PMID 24900621DOI 10.1021/ML400213V Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 4l7r PARP3 human artd3 (parp3) – catalytic domain in complex with inhibitor me0400 2.2Å AUTH A.E.LINDGREN,T.KARLBERG,T.EKBLAD,S.SPJUT,A.G.THORSELL,AUTH 2 C.D.ANDERSSON,T.T.NHAN,V.HELLSTEN,J.WEIGELT,A.LINUSSON,AUTH 3 H.SCHULER,M.ELOFSSONTITL CHEMICAL PROBES TO STUDY ADP-RIBOSYLATION: SYNTHESIS ANDTITL 2 BIOCHEMICAL EVALUATION OF INHIBITORS OF THE HUMANTITL 3 ADP-RIBOSYLTRANSFERASE ARTD3/PARP3.REF J.MED.CHEM. V. 56 9556 2013REFN ISSN 0022-2623PMID 24188023DOI 10.1021/JM401394U Variant Set Distributions Ripley’s K […]
General Structure Information 3rpn GSTK1 crystal structure of human kappa class glutathione transferase in complex with s-hexylglutathione 1.9Å AUTH B.WANG,Y.PENG,T.ZHANG,J.DINGTITL CRYSTAL STRUCTURES AND KINETIC STUDIES OF HUMAN KAPPA CLASSTITL 2 GLUTATHIONE TRANSFERASE PROVIDE INSIGHTS INTO THE CATALYTICTITL 3 MECHANISM.REF BIOCHEM.J. V. 439 215 2011REFN ISSN 0264-6021PMID 21728995DOI 10.1042/BJ20110753 Variant Set Distributions Ripley’s K Analysis Plots […]
General Structure Information 4ael PDE10A pde10a in complex with the inhibitor az5 2.2Å AUTH U.BAUER,F.GIORDANETTO,M.BAUER,G.OMAHONY,K.E.JOHANSSON,AUTH 2 W.KNECHT,J.HARTLEIB-GESCHWINDNER,E.T.CARLSSON,C.ENROTHTITL DISCOVERY OF 4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILETITL 2 DERIVATIVES AS NOVEL PDE10A INHIBITORS.REF BIOORG.MED.CHEM.LETT. V. 22 1944 2012REFN ISSN 0960-894XPMID 22321214DOI 10.1016/J.BMCL.2012.01.046 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants
General Structure Information 2xah RCOR1 crystal structure of lsd1-corest in complex with (+)- trans-2-phenylcyclopropyl-1-amine 3.1Å AUTH C.BINDA,S.VALENTE,M.ROMANENGHI,S.PILOTTO,R.CIRILLI,AUTH 2 A.KARYTINOS,G.CIOSSANI,O.A.BOTRUGNO,F.FORNERIS,AUTH 3 M.TARDUGNO,D.E.EDMONDSON,S.MINUCCI,A.MATTEVI,A.MAITITL BIOCHEMICAL, STRUCTURAL, AND BIOLOGICAL EVALUATIONTITL 2 OF TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OFTITL 3 HISTONE DEMETHYLASES LSD1 AND LSD2.REF J.AM.CHEM.SOC. V. 132 6827 2010REFN ISSN 0002-7863PMID 20415477DOI 10.1021/JA101557K Variant Set Distributions Mapped Variants
General Structure Information 4i6h PLK2 selective & brain-permeable polo-like kinase-2 (plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain 1.91Å AUTH D.L.AUBELE,R.K.HOM,M.ADLER,R.A.GALEMMO,S.BOWERS,A.P.TRUONG,AUTH 2 H.PAN,P.BEROZA,R.J.NEITZ,N.YAO,M.LIN,G.TONN,H.ZHANG,AUTH 3 M.P.BOVA,Z.REN,D.TAM,L.RUSLIM,J.BAKER,L.DIEP,K.FITZGERALD,AUTH 4 J.HOFFMAN,R.MOTTER,D.FAUSS,P.TANAKA,M.DAPPEN,J.JAGODZINSKI,AUTH 5 W.CHAN,A.W.KONRADI,L.LATIMER,Y.L.ZHU,H.L.SHAM,J.P.ANDERSON,AUTH 6 M.BERGERON,D.R.ARTISTITL SELECTIVE & BRAIN-PERMEABLE POLO-LIKE KINASE-2 (PLK-2)TITL 2 INHIBITORS THAT REDUCE ALPHA-SYNUCLEIN PHOSPHORYLATION INTITL 3 RAT BRAINREF CHEMMEDCHEM V. 8 1295 2013REFN ISSN 1860-7179PMID […]
General Structure Information 4lu3 CA14 the crystal structure of the human carbonic anhydrase xiv 2.0Å AUTH V.ALTERIO,P.PAN,S.PARKKILA,M.BUONANNO,C.T.SUPURAN,S.M.MONTI,AUTH 2 G.DE SIMONETITL THE STRUCTURAL COMPARISON BETWEEN MEMBRANE-ASSOCIATED HUMANTITL 2 CARBONIC ANHYDRASES PROVIDES INSIGHTS INTO DRUG DESIGN OFTITL 3 SELECTIVE INHIBITORS.REF BIOPOLYMERS V. 101 769 2014REFN ISSN 0006-3525PMID 24374484DOI 10.1002/BIP.22456 Variant Set Distributions Mapped Variants