Assessment of Structural Intolerance and Durability
General Structure Information 1mq0 CDA crystal structure of human cytidine deaminase 2.4Å AUTH S.J.CHUNG,J.C.FROMME,G.L.VERDINETITL STRUCTURE OF HUMAN CYTIDINE DEAMINASE BOUND TO A POTENTTITL 2 INHIBITORREF J.MED.CHEM. V. 48 658 2005REFN ISSN 0022-2623PMID 15689149DOI 10.1021/JM0496279 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants
General Structure Information 3rjm CASP2 caspase2 in complex with chdi ligand 33c 2.55Å AUTH M.C.MAILLARD,F.A.BROOKFIELD,S.M.COURTNEY,F.M.EUSTACHE,AUTH 2 M.J.GEMKOW,R.K.HANDEL,L.C.JOHNSON,P.D.JOHNSON,M.A.KERRY,AUTH 3 F.KRIEGER,M.MENICONI,I.MUNOZ-SANJUAN,J.J.PALFREY,H.PARK,AUTH 4 S.SCHAERTL,M.G.TAYLOR,D.WEDDELL,C.DOMINGUEZTITL EXPLOITING DIFFERENCES IN CASPASE-2 AND -3 S(2) SUBSITES FORTITL 2 SELECTIVITY: STRUCTURE-BASED DESIGN, SOLID-PHASE SYNTHESISTITL 3 AND IN VITRO ACTIVITY OF NOVEL SUBSTRATE-BASED CASPASE-2TITL 4 INHIBITORS.REF BIOORG.MED.CHEM. V. 19 5833 2011REFN ISSN 0968-0896PMID 21903398DOI […]
General Structure Information 3cki TIMP3 crystal structure of the tace-n-timp-3 complex 2.3Å AUTH M.WISNIEWSKA,P.GOETTIG,K.MASKOS,E.BELOUSKI,AUTH 2 D.WINTERS,R.HECHT,R.BLACK,W.BODETITL STRUCTURAL DETERMINANTS OF THE ADAM INHIBITION BYTITL 2 TIMP-3: CRYSTAL STRUCTURE OF THE TACE-N-TIMP-3TITL 3 COMPLEX.REF J.MOL.BIOL. V. 381 1307 2008REFN ISSN 0022-2836PMID 18638486DOI 10.1016/J.JMB.2008.06.088 Variant Set Distributions Mapped Variants
General Structure Information 2bcd PPP1CC x-ray crystal structure of protein phosphatase-1 with the marine toxin motuporin bound 2.1Å AUTH J.T.MAYNES,H.A.LUU,M.M.CHERNEY,R.J.ANDERSEN,D.WILLIAMS,AUTH 2 C.F.HOLMES,M.N.JAMESTITL CRYSTAL STRUCTURES OF PROTEIN PHOSPHATASE-1 BOUND TOTITL 2 MOTUPORIN AND DIHYDROMICROCYSTIN-LA: ELUCIDATION OF THETITL 3 MECHANISM OF ENZYME INHIBITION BY CYANOBACTERIAL TOXINS.REF J.MOL.BIOL. V. 356 111 2006REFN ISSN 0022-2836PMID 16343532DOI 10.1016/J.JMB.2005.11.019 Variant Set […]
General Structure Information 3n3k USP8 the catalytic domain of usp8 in complex with a usp8 specific inhibitor 2.6Å AUTH A.ERNST,G.AVVAKUMOV,J.TONG,Y.FAN,Y.ZHAO,P.ALBERTS,A.PERSAUD,AUTH 2 J.R.WALKER,A.M.NECULAI,D.NECULAI,A.VOROBYOV,P.GARG,L.BEATTY,AUTH 3 P.K.CHAN,Y.C.JUANG,M.C.LANDRY,C.YEH,E.ZEQIRAJ,K.KARAMBOULAS,AUTH 4 A.ALLALI-HASSANI,M.VEDADI,M.TYERS,J.MOFFAT,F.SICHERI,AUTH 5 L.PELLETIER,D.DUROCHER,B.RAUGHT,D.ROTIN,J.YANG,M.F.MORAN,AUTH 6 S.DHE-PAGANON,S.S.SIDHUTITL A STRATEGY FOR MODULATION OF ENZYMES IN THE UBIQUITINTITL 2 SYSTEM.REF SCIENCE V. 339 590 2013REFN ISSN 0036-8075PMID 23287719DOI 10.1126/SCIENCE.1230161 Variant Set Distributions Ripley’s K […]
General Structure Information 4dg4 PRSS3 human mesotrypsin-s39y complexed with bovine pancreatic trypsin inhibitor (bpti) 1.4Å AUTH M.A.SALAMEH,A.S.SOARES,A.ALLOY,E.S.RADISKYTITL PRESENCE VERSUS ABSENCE OF HYDROGEN BOND DONOR TYR-39TITL 2 INFLUENCES INTERACTIONS OF CATIONIC TRYPSIN AND MESOTRYPSINTITL 3 WITH PROTEIN PROTEASE INHIBITORS.REF PROTEIN SCI. V. 21 1103 2012REFN ISSN 0961-8368PMID 22610453DOI 10.1002/PRO.2097 Variant Set Distributions Ripley’s K Analysis Plots […]
General Structure Information 3whw NUDT1 mth1 in complex with ruthenium-based inhibitor 2.7Å AUTH M.STREIB,K.KRAELING,K.RICHTER,X.XIE,H.STEUBER,E.MEGGERSTITL AN ORGANOMETALLIC INHIBITOR FOR THE HUMAN REPAIR ENZYMETITL 2 7,8-DIHYDRO-8-OXOGUANOSINE TRIPHOSPHATASE.REF ANGEW.CHEM.INT.ED.ENGL. V. 53 305 2014REFN ISSN 1433-7851PMID 24258965DOI 10.1002/ANIE.201307849 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants
General Structure Information 1mx1 CES1 crystal structure of human liver carboxylesterase in complex with tacrine 2.4Å AUTH S.BENCHARIT,C.L.MORTON,J.L.HYATT,P.KUHN,M.K.DANKS,AUTH 2 P.M.POTTER,M.R.REDINBOTITL CRYSTAL STRUCTURE OF HUMAN CARBOXYLESTERASE 1 COMPLEXED WITHTITL 2 THE ALZHEIMERS DRUG TACRINE: FROM BINDING PROMISCUITY TOTITL 3 SELECTIVE INHIBITIONREF CHEM.BIOL. V. 10 341 2003REFN ISSN 1074-5521PMID 12725862DOI 10.1016/S1074-5521(03)00071-1 Variant Set Distributions Ripley’s K Analysis […]
General Structure Information 4nnr FKBP2 fkbp13-fk506 complex 1.98Å AUTH L.W.SCHULTZ,P.K.MARTIN,J.LIANG,S.L.SCHREIBER,J.CLARDYTITL ATOMIC STRUCTURE OF THE IMMUNOPHILIN FKBP13-FK506 COMPLEX:TITL 2 INSIGHTS INTO THE COMPOSITE BINDING SURFACE FOR CALCINEURINREF J.AM.CHEM.SOC. V. 116 3129 1994REFN ISSN 0002-7863DOI 10.1021/JA00086A055 Variant Set Distributions Mapped Variants
General Structure Information 2hc2 PTPRB engineered protein tyrosine phosphatase beta catalytic domain 1.4Å AUTH A.G.EVDOKIMOV,M.POKROSS,R.WALTER,M.MEKEL,B.COX,AUTH 2 C.LI,R.BECHARD,F.GENBAUFFE,R.ANDREWS,C.DIVEN,AUTH 3 B.HOWARD,V.RASTOGI,J.GRAY,M.MAIER,K.G.PETERSTITL ENGINEERING THE CATALYTIC DOMAIN OF HUMAN PROTEINTITL 2 TYROSINE PHOSPHATASE BETA FOR STRUCTURE-BASED DRUGTITL 3 DISCOVERY.REF ACTA CRYSTALLOGR.,SECT.D V. 62 1435 2006REFN ISSN 0907-4449PMID 17139078DOI 10.1107/S0907444906037784 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons […]