4GJ3.A | TYK2

General Structure Information 4gj3 TYK2 tyk2 (jh1) in complex with 2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2- fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide 2.5Å AUTH J.LIANG,A.VAN ABBEMA,M.BALAZS,K.BARRETT,L.BEREZHKOVSKY,AUTH 2 W.BLAIR,C.CHANG,D.DELAROSA,J.DEVOSS,J.DRISCOLL,C.EIGENBROT,AUTH 3 N.GHILARDI,P.GIBBONS,J.HALLADAY,A.JOHNSON,P.B.KOHLI,Y.LAI,AUTH 4 Y.LIU,J.LYSSIKATOS,P.MANTIK,K.MENGHRAJANI,J.MURRAY,I.PENG,AUTH 5 A.SAMBRONE,S.SHIA,Y.SHIN,J.SMITH,S.SOHN,V.TSUI,M.ULTSCH,AUTH 6 L.C.WU,Y.XIAO,W.YANG,J.YOUNG,B.ZHANG,B.Y.ZHU,S.MAGNUSONTITL LEAD OPTIMIZATION OF A 4-AMINOPYRIDINE BENZAMIDE SCAFFOLD TOTITL 2 IDENTIFY POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE TYK2TITL 3 INHIBITORS.REF J.MED.CHEM. V. 56 4521 2013REFN ISSN 0022-2623PMID 23668484DOI 10.1021/JM400266T Variant Set […]

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4L23.B | PIK3R1

General Structure Information 4l23 PIK3R1 crystal structure of p110alpha complexed with nish2 of p85alpha and pi-103 2.5Å AUTH Y.ZHAO,X.ZHANG,Y.CHEN,S.LU,Y.PENG,X.WANG,C.GUO,A.ZHOU,AUTH 2 J.ZHANG,Y.LUO,Q.SHEN,J.DING,L.MENG,J.ZHANGTITL CRYSTAL STRUCTURES OF PI3K ALPHA COMPLEXED WITH PI103 ANDTITL 2 ITS DERIVATIVES: NEW DIRECTIONS FOR INHIBITORS DESIGN.REF ACS MED CHEM LETT V. 5 138 2014REFN ISSN 1948-5875PMID 24900786DOI 10.1021/ML400378E Variant Set Distributions Ripley’s K […]

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4FXF.B | PKM

General Structure Information 4fxf PKM structure of m2 pyruvate kinase in complex with phenylalanine 2.55Å AUTH H.P.MORGAN,F.J.OREILLY,M.A.WEAR,J.R.ONEILL,AUTH 2 L.A.FOTHERGILL-GILMORE,T.HUPP,M.D.WALKINSHAWTITL M2 PYRUVATE KINASE PROVIDES A MECHANISM FOR NUTRIENT SENSINGTITL 2 AND REGULATION OF CELL PROLIFERATION.REF PROC.NATL.ACAD.SCI.USA V. 110 5881 2013REFN ISSN 0027-8424PMID 23530218DOI 10.1073/PNAS.1217157110 Variant Set Distributions Mapped Variants

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3OWP.A | PRKACA

General Structure Information 3owp PRKACA human camp-dependent protein kinase in complex with an inhibitor 1.88Å AUTH H.KOESTER,T.CRAAN,S.BRASS,A.HEINE,G.KLEBETITL FRAGMENT BASED DRUG DESIGN ON PKAREF TO BE PUBLISHEDREFN Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants

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4FVP.A | JAK2

General Structure Information 4fvp JAK2 crystal structure of the jak2 pseudokinase domain (apo form) 2.01Å AUTH R.M.BANDARANAYAKE,D.UNGUREANU,Y.SHAN,D.E.SHAW,AUTH 2 O.SILVENNOINEN,S.R.HUBBARDTITL CRYSTAL STRUCTURES OF THE JAK2 PSEUDOKINASE DOMAIN AND THETITL 2 PATHOGENIC MUTANT V617F.REF NAT.STRUCT.MOL.BIOL. V. 19 754 2012REFN ISSN 1545-9993PMID 22820988DOI 10.1038/NSMB.2348 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants

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3GID.A | ACACB

General Structure Information 3gid ACACB the biotin carboxylase (bc) domain of human acetyl-coa carboxylase 2 (acc2) in complex with soraphen a 2.3Å AUTH B.RAYMER,M.KAVANA,A.PRICE,B.WANG,L.CORCORAN,R.KULATHILA,AUTH 2 J.GROARKE,T.MANNTITL SYNTHESIS AND CHARACTERIZATION OF A BODIPY-LABELEDTITL 2 DERIVATIVE OF SORAPHEN A THAT BINDS TO ACETYL-COATITL 3 CARBOXYLASE.REF BIOORG.MED.CHEM.LETT. V. 19 2804 2009REFN ISSN 0960-894XPMID 19359168DOI 10.1016/J.BMCL.2009.03.107 Variant Set Distributions […]

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