PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

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3C43	Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor 分子名称: (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Scapin, G, Edmondson, S.D, Weber, A.E. 登録日 2008-01-29 公開日 2008-04-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 18, 2008
3ULI	Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative 分子名称: 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 著者 Larsen, N.A, Tucker, J.A, Wang, T. 登録日 2011-11-10 公開日 2013-08-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases. Bioorg.Med.Chem.Lett., 22, 2012
3BV2	Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30 分子名称: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2008-01-04 公開日 2008-04-08 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
3BV3	Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2 分子名称: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2008-01-04 公開日 2008-04-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
3V01	Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. 登録日 2011-12-07 公開日 2012-05-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.705 Å) 主引用文献 Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
3V4A	Structure of ar lbd with activator peptide and sarm inhibitor 2 分子名称: (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION 著者 Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. 登録日 2011-12-14 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
4F65	Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 8 分子名称: 1,2-ETHANEDIOL, 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine, Fibroblast growth factor receptor 1, ... 著者 Norman, R.A, Breed, J, Ogg, D. 登録日 2012-05-14 公開日 2012-06-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Protein-Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase. J.Med.Chem., 55, 2012
4OC5	X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CHIBzL, a urea-based inhibitor N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. 登録日 2014-01-08 公開日 2014-05-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg.Med.Chem.Lett., 24, 2014
4OC2	X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CEIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. 登録日 2014-01-08 公開日 2014-05-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg.Med.Chem.Lett., 24, 2014
4OC1	X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with COIBzL, a urea-based inhibitor (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid 分子名称: (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. 登録日 2014-01-08 公開日 2014-05-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg.Med.Chem.Lett., 24, 2014
4OC0	X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CCIBzL, a urea-based inhibitor N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. 登録日 2014-01-08 公開日 2014-05-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg.Med.Chem.Lett., 24, 2014
4OC3	X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CFIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. 登録日 2014-01-08 公開日 2014-05-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg.Med.Chem.Lett., 24, 2014
3CTQ	Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide 分子名称: Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide 著者 Qian, K. 登録日 2008-04-14 公開日 2008-05-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 18, 2008
3BL1	Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications 分子名称: 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, Carbonic anhydrase 2, MERCURY (II) ION, ... 著者 Temperini, C, Cecchi, A, Supuran, C.T. 登録日 2007-12-10 公開日 2008-07-01 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct. Bioorg.Med.Chem.Lett., 18, 2008
4FOD	Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36 分子名称: 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL 著者 Whittington, D.A, Epstein, L.F, Chen, H. 登録日 2012-06-20 公開日 2012-07-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
4OTY	Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... 著者 Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J. 登録日 2014-02-14 公開日 2014-02-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.354 Å) 主引用文献 Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib. Bioorg.Med.Chem.Lett., 23, 2013
3D0E	Crystal structure of human Akt2 in complex with GSK690693 分子名称: 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol, RAC-beta serine/threonine-protein kinase 著者 Concha, N.O, Smallwood, A. 登録日 2008-05-01 公開日 2008-10-21 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase. J.Med.Chem., 51, 2008
4FLL	Human MetAP1 with bengamide analog YZ6, in Mn form 分子名称: (E,2R,3R,4S,5R)-N-[(3R)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... 著者 Ye, Q.Z, Xu, W. 登録日 2012-06-14 公開日 2012-09-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
4FLK	Human MetAP1 with bengamide analog Y10, in Mn form 分子名称: (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... 著者 Ye, Q.Z, Xu, W. 登録日 2012-06-14 公開日 2012-09-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
4FLI	Human MetAP1 with bengamide analog Y16, in Mn form 分子名称: (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... 著者 Ye, Q.Z, Xu, W. 登録日 2012-06-14 公開日 2012-09-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
4FLJ	Human MetAP1 with bengamide analog Y08, in Mn form 分子名称: (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... 著者 Ye, Q.Z, Xu, W. 登録日 2012-06-14 公開日 2012-09-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
4FGZ	Crystal Structure of Phosphoethanolamine Methyltransferase from Plasmodium falciparum in Complex with Amodiaquine 分子名称: 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, PHOSPHATE ION, Phosphoethanolamine N-methyltransferase, ... 著者 Lee, S.G, Alpert, T.D, Jez, J.M. 登録日 2012-06-05 公開日 2012-07-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.994 Å) 主引用文献 Crystal structure of phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with amodiaquine. Bioorg.Med.Chem.Lett., 22, 2012
4OCZ	Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea 分子名称: 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... 著者 Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. 登録日 2014-01-09 公開日 2014-09-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.94 Å) 主引用文献 Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
4FCQ	Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization 分子名称: 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha 著者 Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. 登録日 2012-05-25 公開日 2012-10-24 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.151 Å) 主引用文献 Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
4FOC	Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2 分子名称: ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate 著者 Whittington, D.A, Epstein, L.F, Chen, H. 登録日 2012-06-20 公開日 2012-07-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012

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