Assessment of Structural Intolerance and Durability
General Structure Information 3cos ADH4 crystal structure of human class ii alcohol dehydrogenase (adh4) in complex with nad and zn 2.1Å AUTH K.L.KAVANAGH,N.SHAFQAT,W.YUE,F.VON DELFT,S.BISHOP,A.ROOS,AUTH 2 J.MURRAY,A.M.EDWARDS,C.H.ARROWSMITH,C.BOUNTRA,U.OPPERMANNTITL CRYSTAL STRUCTURE OF HUMAN CLASS II ALCOHOL DEHYDROGENASETITL 2 (ADH4) IN COMPLEX WITH NAD AND ZN.REF TO BE PUBLISHEDREFN Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons […]
General Structure Information 2r4s ADRB2 crystal structure of the human beta2 adrenoceptor 3.4Å AUTH S.G.F.RASMUSSEN,H.J.CHOI,D.M.ROSENBAUM,T.S.KOBILKA,AUTH 2 F.S.THIAN,P.C.EDWARDS,M.BURGHAMMER,V.R.RATNALA,R.SANISHVILI,AUTH 3 R.F.FISCHETTI,G.F.SCHERTLER,W.I.WEIS,B.K.KOBILKATITL CRYSTAL STRUCTURE OF THE HUMAN BETA2 ADRENERGICTITL 2 G-PROTEIN-COUPLED RECEPTOR.REF NATURE V. 450 383 2007REFN ISSN 0028-0836PMID 17952055DOI 10.1038/NATURE06325 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 4k9w CYP3A4 complex of human cyp3a4 with a desoxyritonavir analog 2.4Å AUTH I.F.SEVRIOUKOVA,T.L.POULOSTITL DISSECTING CYTOCHROME P450 3A4-LIGAND INTERACTIONS USINGTITL 2 RITONAVIR ANALOGUES.REF BIOCHEMISTRY V. 52 4474 2013REFN ISSN 0006-2960PMID 23746300DOI 10.1021/BI4005396 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 4fm9 TOP2A human topoisomerase ii alpha bound to dna 2.9Å AUTH T.J.WENDORFF,B.H.SCHMIDT,P.HESLOP,C.A.AUSTIN,J.M.BERGERTITL THE STRUCTURE OF DNA-BOUND HUMAN TOPOISOMERASE II ALPHA:TITL 2 CONFORMATIONAL MECHANISMS FOR COORDINATING INTER-SUBUNITTITL 3 INTERACTIONS WITH DNA CLEAVAGE.REF J.MOL.BIOL. V. 424 109 2012REFN ISSN 0022-2836PMID 22841979DOI 10.1016/J.JMB.2012.07.014 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 4lvt BCL2 bcl_2-navitoclax (abt-263) complex 2.05Å AUTH A.J.SOUERS,J.D.LEVERSON,E.R.BOGHAERT,S.L.ACKLER,N.D.CATRON,AUTH 2 J.CHEN,B.D.DAYTON,H.DING,S.H.ENSCHEDE,W.J.FAIRBROTHER,AUTH 3 D.C.HUANG,S.G.HYMOWITZ,S.JIN,S.L.KHAW,P.J.KOVAR,L.T.LAM,AUTH 4 J.LEE,H.L.MAECKER,K.C.MARSH,K.D.MASON,M.J.MITTEN,P.M.NIMMER,AUTH 5 A.OLEKSIJEW,C.H.PARK,C.M.PARK,D.C.PHILLIPS,A.W.ROBERTS,AUTH 6 D.SAMPATH,J.F.SEYMOUR,M.L.SMITH,G.M.SULLIVAN,S.K.TAHIR,AUTH 7 C.TSE,M.D.WENDT,Y.XIAO,J.C.XUE,H.ZHANG,R.A.HUMERICKHOUSE,AUTH 8 S.H.ROSENBERG,S.W.ELMORETITL ABT-199, A POTENT AND SELECTIVE BCL-2 INHIBITOR, ACHIEVESTITL 2 ANTITUMOR ACTIVITY WHILE SPARING PLATELETS.REF NAT.MED. (N.Y.) V. 19 202 2013REFN ISSN 1078-8956PMID 23291630DOI 10.1038/NM.3048 Variant Set Distributions Ripley’s K Analysis […]
General Structure Information 1gmy CTSB cathepsin b complexed with dipeptidyl nitrile inhibitor 1.9Å AUTH P.D.GREENSPAN,K.L.CLARK,R.A.TOMMASI,S.D.COWEN,AUTH 2 L.W.MCQUIRE,D.L.FARLEY,J.H.VAN DUZER,R.L.GOLDBERG,AUTH 3 H.ZHOU,Z.DU,J.J.FITT,D.E.COPPA,Z.FANG,W.MACCHIA,AUTH 4 L.ZHU,M.P.CAPPARELLI,R.GOLDSTEIN,A.M.WIGG,AUTH 5 J.R.DOUGHTY,R.S BOHACEK,A.K.KNAPTITL IDENTIFICATION OF DIPEPTIDYL NITRILES AS POTENTTITL 2 AND SELECTIVE INHIBITORS OF CATHEPSIN B THROUGHTITL 3 STRUCTURE-BASED DRUG DESIGNREF J.MED.CHEM. V. 44 4524 2001REFN ISSN 0022-2623PMID 11741472DOI 10.1021/JM010206Q Variant Set Distributions […]
General Structure Information 2vct GSTA2 glutathione transferase a2-2 in complex with delta-4- andostrene-3-17-dione 2.1Å AUTH K.TARS,B.OLIN,B.MANNERVIKTITL STRUCTURAL BASIS FOR FEATURING OF STEROIDTITL 2 ISOMERASE ACTIVITY IN ALPHA CLASS GLUTATHIONETITL 3 TRANSFERASES.REF J.MOL.BIOL. V. 397 332 2010REFN ISSN 0022-2836PMID 20083122DOI 10.1016/J.JMB.2010.01.023 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis Mapped Variants
General Structure Information 1t2f LDHB human b lactate dehydrogenase complexed with nad+ and 4- hydroxy-1,2,5-oxadiazole-3-carboxylic acid 3.0Å AUTH A.CAMERON,J.READ,R.TRANTER,V.J.WINTER,R.B.SESSIONS,AUTH 2 R.L.BRADY,L.VIVAS,A.EASTON,H.KENDRICK,S.L.CROFT,AUTH 3 D.BARROS,J.L.LAVANDERA,J.J.MARTIN,F.RISCO,AUTH 4 S.GARCIA-OCHOA,F.J.GAMO,L.SANZ,L.LEON,J.R.RUIZ,AUTH 5 R.GABARRO,A.MALLO,F.G.DE LAS HERASTITL IDENTIFICATION AND ACTIVITY OF A SERIES OFTITL 2 AZOLE-BASED COMPOUNDS WITH LACTATETITL 3 DEHYDROGENASE-DIRECTED ANTI-MALARIAL ACTIVITY.REF J.BIOL.CHEM. V. 279 31429 2004REFN ISSN 0021-9258PMID 15117937DOI 10.1074/JBC.M402433200 Variant […]
General Structure Information 4dkd CSF1R crystal structure of human interleukin-34 bound to human csf-1r 3.0Å AUTH X.MA,W.Y.LIN,Y.CHEN,S.STAWICKI,K.MUKHYALA,Y.WU,F.MARTIN,AUTH 2 J.F.BAZAN,M.A.STAROVASNIKTITL STRUCTURAL BASIS FOR THE DUAL RECOGNITION OF HELICALTITL 2 CYTOKINES IL-34 AND CSF-1 BY CSF-1R.REF STRUCTURE V. 20 676 2012REFN ISSN 0969-2126PMID 22483114DOI 10.1016/J.STR.2012.02.010 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 2y5l FBP1 orally active aminopyridines as inhibitors of tetrameric fructose 1,6-bisphosphatase 2.2Å AUTH P.HEBEISEN,W.HAAP,B.KUHN,P.MOHR,H.P.WESSEL,U.ZUTTER,AUTH 2 S.KIRCHNER,A.RUF,J.BENZ,C.JOSEPH,R.ALVAREZ-SANCHEZ,M.GUBLER,AUTH 3 B.SCHOTT,A.BENARDEAU,E.TOZZO,E.KITASTITL ORALLY ACTIVE AMINOPYRIDINES AS INHIBITORS OF TETRAMERICTITL 2 FRUCTOSE-1,6-BISPHOSPHATASE.REF BIOORG.MED.CHEM.LETT. V. 21 3237 2011REFN ISSN 0960-894XPMID 21550236DOI 10.1016/J.BMCL.2011.04.044 Variant Set Distributions Pathogenic Proximity Analysis Mapped Variants