General Structure Information 4b6l PLK3 discovery of oral polo-like kinase (plk) inhibitors with enhanced selectivity profile using residue targeted drug design 1.9Å AUTH K.BROWN,J.D.CHARRIER,S.DURRANT,M.GRIFFITHS,C.HUDSON,D.KAY,AUTH 2 R.KNEGTEL,M.ODONNELL,F.PIERARD,H.TWIN,P.WEBER,S.YOUNGTITL DISCOVERY OF ORAL POLO-LIKE KINASE (PLK) INHIBITORS WITHTITL 2 ENHANCED SELECTIVITY PROFILE USING RESIDUE TARGETED DRUGTITL 3 DESIGNREF TO BE PUBLISHEDREFN Variant Set Distributions Mapped Variants
General Structure Information 1waw CHIT1 specificity and affinity of natural product cyclopentapeptide inhibitor argadin against human chitinase 1.75Å AUTH F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,M.HODKINSON,AUTH 2 D.J.ADAMS,K.SHIOMI,S.OMURA,D.M.F.VAN AALTENTITL SPECIFICITY AND AFFINITY OF NATURAL PRODUCTTITL 2 CYCLOPENTAPEPTIDE INHIBITORS AGAINST ASPERGILLUS FUMIGATUS,TITL 3 HUMAN AND BACTERIAL CHITINASESREF CHEM.BIOL. V. 12 65 2005REFN ISSN 1074-5521PMID 15664516DOI 10.1016/J.CHEMBIOL.2004.10.013 Variant Set Distributions Ripley’s K Analysis […]
General Structure Information 1waw CHIT1 specificity and affinity of natural product cyclopentapeptide inhibitor argadin against human chitinase 1.75Å AUTH F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,M.HODKINSON,AUTH 2 D.J.ADAMS,K.SHIOMI,S.OMURA,D.M.F.VAN AALTENTITL SPECIFICITY AND AFFINITY OF NATURAL PRODUCTTITL 2 CYCLOPENTAPEPTIDE INHIBITORS AGAINST ASPERGILLUS FUMIGATUS,TITL 3 HUMAN AND BACTERIAL CHITINASESREF CHEM.BIOL. V. 12 65 2005REFN ISSN 1074-5521PMID 15664516DOI 10.1016/J.CHEMBIOL.2004.10.013 Variant Set Distributions Ripley’s K Analysis […]
General Structure Information 1waw CHIT1 specificity and affinity of natural product cyclopentapeptide inhibitor argadin against human chitinase 1.75Å AUTH F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,M.HODKINSON,AUTH 2 D.J.ADAMS,K.SHIOMI,S.OMURA,D.M.F.VAN AALTENTITL SPECIFICITY AND AFFINITY OF NATURAL PRODUCTTITL 2 CYCLOPENTAPEPTIDE INHIBITORS AGAINST ASPERGILLUS FUMIGATUS,TITL 3 HUMAN AND BACTERIAL CHITINASESREF CHEM.BIOL. V. 12 65 2005REFN ISSN 1074-5521PMID 15664516DOI 10.1016/J.CHEMBIOL.2004.10.013 Variant Set Distributions Ripley’s K Analysis […]
General Structure Information 3dtc MAP3K9 crystal structure of mixed-lineage kinase mlk1 complexed with compound 16 2.6Å AUTH R.L.HUDKINS,J.L.DIEBOLD,M.TAO,K.A.JOSEF,C.H.PARK,AUTH 2 T.S.ANGELES,L.D.AIMONE,J.HUSTEN,M.A.ATOR,S.L.MEYER,AUTH 3 B.P.HOLSKIN,J.T.DURKIN,A.A.FEDOROV,E.V.FEDOROV,AUTH 4 S.C.ALMO,J.R.MATHIASEN,D.BOZYCZKO-COYNE,AUTH 5 M.S.SAPORITO,R.W.SCOTT,J.P.MALLAMOTITL MIXED-LINEAGE KINASE 1 AND MIXED-LINEAGE KINASE 3TITL 2 SUBTYPE-SELECTIVETITL 3 DIHYDRONAPHTHYL[3,4-A]PYRROLO[3,4-C]CARBAZOLE-5-TITL 4 ONES: OPTIMIZATION, MIXED-LINEAGE KINASE 1TITL 5 CRYSTALLOGRAPHY, AND ORAL IN VIVO ACTIVITY INTITL 6 1-METHYL-4-PHENYLTETRAHYDROPYRIDINE MODELS.REF J.MED.CHEM. […]
General Structure Information 3dtc MAP3K9 crystal structure of mixed-lineage kinase mlk1 complexed with compound 16 2.6Å AUTH R.L.HUDKINS,J.L.DIEBOLD,M.TAO,K.A.JOSEF,C.H.PARK,AUTH 2 T.S.ANGELES,L.D.AIMONE,J.HUSTEN,M.A.ATOR,S.L.MEYER,AUTH 3 B.P.HOLSKIN,J.T.DURKIN,A.A.FEDOROV,E.V.FEDOROV,AUTH 4 S.C.ALMO,J.R.MATHIASEN,D.BOZYCZKO-COYNE,AUTH 5 M.S.SAPORITO,R.W.SCOTT,J.P.MALLAMOTITL MIXED-LINEAGE KINASE 1 AND MIXED-LINEAGE KINASE 3TITL 2 SUBTYPE-SELECTIVETITL 3 DIHYDRONAPHTHYL[3,4-A]PYRROLO[3,4-C]CARBAZOLE-5-TITL 4 ONES: OPTIMIZATION, MIXED-LINEAGE KINASE 1TITL 5 CRYSTALLOGRAPHY, AND ORAL IN VIVO ACTIVITY INTITL 6 1-METHYL-4-PHENYLTETRAHYDROPYRIDINE MODELS.REF J.MED.CHEM. […]
General Structure Information 2no3 MAPK8 novel 4-anilinopyrimidines as potent jnk1 inhibitors 3.2Å AUTH M.LIU,S.WANG,J.E.CLAMPIT,R.J.GUM,D.L.HAASCH,AUTH 2 C.M.RONDINONE,J.M.TREVILLYAN,C.ABAD-ZAPATERO,AUTH 3 E.H.FRY,H.L.SHAM,G.LIUTITL DISCOVERY OF A NEW CLASS OF 4-ANILINOPYRIMIDINESTITL 2 AS POTENT C-JUN N-TERMINAL KINASE INHIBITORS:TITL 3 SYNTHESIS AND SAR STUDIES.REF BIOORG.MED.CHEM.LETT. V. 17 668 2007REFN ISSN 0960-894XPMID 17107797DOI 10.1016/J.BMCL.2006.10.093 Variant Set Distributions Ripley’s K Analysis Plots Variant Set […]
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 2pip AR androgen receptor lbd with small molecule 1.8Å AUTH E.ESTEBANEZ-PERPINA,L.A.ARNOLD,A.A.ARNOLD,P.NGUYEN,AUTH 2 E.D.RODRIGUES,E.MAR,R.BATEMAN,P.PALLAI,K.M.SHOKAT,AUTH 3 J.D.BAXTER,R.K.GUY,P.WEBB,R.J.FLETTERICKTITL A SURFACE ON THE ANDROGEN RECEPTOR THATTITL 2 ALLOSTERICALLY REGULATES COACTIVATOR BINDING.REF PROC.NATL.ACAD.SCI.USA V. 104 16074 2007REFN ISSN 0027-8424PMID 17911242DOI 10.1073/PNAS.0708036104 Variant Set Distributions Ripley’s K Analysis Plots Variant Set Comparisons Mapped Variants