Assessment of Structural Intolerance and Durability
General Structure Information 3ici PPIB crystal structure of cyclophilin b in complex with calmegin fragment 1.7Å AUTH G.KOZLOV,S.BASTOS-ARISTIZABAL,P.MAATTANEN,A.ROSENAUER,AUTH 2 F.ZHENG,A.KILLIKELLY,J.F.TREMPE,D.Y.THOMAS,K.GEHRINGTITL STRUCTURAL BASIS OF CYCLOPHILIN B BINDING BY THETITL 2 CALNEXIN/CALRETICULIN P-DOMAIN.REF J.BIOL.CHEM. V. 285 35551 2010REFN ISSN 0021-9258PMID 20801878DOI 10.1074/JBC.M110.160101 Variant Set Distributions Mapped Variants
General Structure Information 3f8u PDIA3 tapasin/erp57 heterodimer 2.6Å AUTH G.DONG,P.A.WEARSCH,D.R.PEAPER,P.CRESSWELL,K.M.REINISCHTITL INSIGHTS INTO MHC CLASS I PEPTIDE LOADING FROM THE STRUCTURETITL 2 OF THE TAPASIN-ERP57 THIOL OXIDOREDUCTASE HETERODIMER.REF IMMUNITY V. 30 21 2009REFN ISSN 1074-7613PMID 19119025DOI 10.1016/J.IMMUNI.2008.10.018 Variant Set Distributions Mapped Variants
General Structure Information 4nh9 HSP90B1 correlation between chemotype-dependent binding conformations of hsp90 alpha/beta and isoform selectivity 2.77Å AUTH J.T.ERNST,M.LIU,H.ZUCCOLA,T.NEUBERT,K.BEAUMONT,A.TURNBULL,AUTH 2 A.KALLEL,B.VOUGHT,D.STAMOSTITL CORRELATION BETWEEN CHEMOTYPE-DEPENDENT BINDINGTITL 2 CONFORMATIONS OF HSP90 ALPHA / BETA AND ISOFORMTITL 3 SELECTIVITY-IMPLICATIONS FOR THE STRUCTURE-BASED DESIGN OFTITL 4 HSP90 ALPHA / BETA SELECTIVE INHIBITORS FOR TREATINGTITL 5 NEURODEGENERATIVE DISEASES.REF BIOORG.MED.CHEM.LETT. V. […]
General Structure Information 3idv PDIA4 crystal structure of the a0a fragment of erp72 1.95Å AUTH G.KOZLOV,S.AZEROUAL,A.ROSENAUER,P.MAATTANEN,A.Y.DENISOV,AUTH 2 D.Y.THOMAS,K.GEHRINGTITL STRUCTURE OF THE CATALYTIC A(0)A FRAGMENT OF THE PROTEINTITL 2 DISULFIDE ISOMERASE ERP72.REF J.MOL.BIOL. V. 401 618 2010REFN ISSN 0022-2836PMID 20600112DOI 10.1016/J.JMB.2010.06.045 Variant Set Distributions 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 4el1 P4HB crystal structure of oxidized hpdi (abbxa) 2.88Å AUTH C.WANG,W.LI,J.REN,J.FANG,H.KE,W.GONG,W.FENG,C.-C.WANGTITL STRUCTURAL INSIGHTS INTO THE REDOX-REGULATED DYNAMICTITL 2 CONFORMATIONS OF HUMAN PROTEIN DISULFIDE ISOMERASEREF ANTIOXID REDOX SIGNAL V. 19 44 2013REFN ISSN 1557-7716PMID 22657537DOI 10.1089/ARS.2012.4630 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 3ldl HSPA5 crystal structure of human grp78 (70kda heat shock protein 5 / bip) atpase domain in complex with atp 2.3Å AUTH A.T.MACIAS,D.S.WILLIAMSON,N.ALLEN,J.BORGOGNONI,A.CLAY,AUTH 2 Z.DANIELS,P.DOKURNO,M.J.DRYSDALE,G.L.FRANCIS,C.J.GRAHAM,AUTH 3 R.HOWES,N.MATASSOVA,J.B.MURRAY,R.PARSONS,T.SHAW,AUTH 4 A.E.SURGENOR,L.TERRY,Y.WANG,M.WOOD,A.J.MASSEYTITL ADENOSINE-DERIVED INHIBITORS OF 78 KDA GLUCOSE REGULATEDTITL 2 PROTEIN (GRP78) ATPASE: INSIGHTS INTO ISOFORM SELECTIVITY.REF J.MED.CHEM. V. 54 4034 2011REFN ISSN 0022-2623PMID 21526763DOI […]
General Structure Information 3lc4 CYP2E1 human cytochrome p450 2e1 in complex with omega-imidazolyl-dodecanoic acid 3.1Å AUTH P.R.PORUBSKY,K.P.BATTAILE,E.E.SCOTTTITL HUMAN CYTOCHROME P450 2E1 STRUCTURES WITH FATTY ACID ANALOGSTITL 2 REVEAL A PREVIOUSLY UNOBSERVED BINDING MODE.REF J.BIOL.CHEM. V. 285 22282 2010REFN ISSN 0021-9258PMID 20463018DOI 10.1074/JBC.M110.109017 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Pathogenic Proximity Analysis […]
General Structure Information 3ruk CYP17A1 human cytochrome p450 cyp17a1 in complex with abiraterone 2.6Å AUTH N.M.DEVORE,E.E.SCOTTTITL STRUCTURES OF CYTOCHROME P450 17A1 WITH PROSTATE CANCERTITL 2 DRUGS ABIRATERONE AND TOK-001.REF NATURE V. 482 116 2012REFN ISSN 0028-0836PMID 22266943DOI 10.1038/NATURE10743 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants
General Structure Information 3ccz HMGCR thermodynamic and structure guided design of statin hmg-coa reductase inhibitors 1.7Å AUTH R.W.SARVER,E.BILLS,G.BOLTON,L.D.BRATTON,AUTH 2 N.L.CASPERS,J.B.DUNBAR,M.S.HARRIS,R.H.HUTCHINGS,AUTH 3 R.M.KENNEDY,S.D.LARSEN,A.PAVLOVSKY,J.A.PFEFFERKORN,AUTH 4 G.BAINBRIDGETITL THERMODYNAMIC AND STRUCTURE GUIDED DESIGN OFTITL 2 STATIN BASED INHIBITORS OFTITL 3 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE.REF J.MED.CHEM. V. 51 3804 2008REFN ISSN 0022-2623PMID 18540668DOI 10.1021/JM7015057 Variant Set Distributions Mapped Variants