3RQG
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4BYJ
| Aurora A kinase bound to a highly selective imidazopyridine inhibitor | 分子名称: | (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A | 著者 | Joshi, A, Kosmopoulou, M, Bayliss, R. | 登録日 | 2013-07-19 | 公開日 | 2013-11-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells. J.Med.Chem., 56, 2013
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5AAE
| Aurora A kinase bound to an imidazopyridine inhibitor (14d) | 分子名称: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A | 著者 | McIntyre, P.J, Bayliss, R. | 登録日 | 2015-07-24 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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4C5I
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4CCG
| Structure of an E2-E3 complex | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, CHLORIDE ION, ... | 著者 | Hodson, C, Purkiss, A, Walden, H. | 登録日 | 2013-10-22 | 公開日 | 2014-01-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the Human Fancl Ring-Ube2T Complex Reveals Determinants of Cognate E3-E2 Selection. Structure, 22, 2014
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3R22
| Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | 分子名称: | N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | 著者 | Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | 登録日 | 2011-03-11 | 公開日 | 2011-08-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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4BYI
| Aurora A kinase bound to a highly selective imidazopyridine inhibitor | 分子名称: | (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A | 著者 | Joshi, A, Kosmopoulou, M, Bayliss, R. | 登録日 | 2013-07-19 | 公開日 | 2013-11-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells. J.Med.Chem., 56, 2013
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4CCM
| 60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1) | 分子名称: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | 著者 | Chowdhury, R, Schofield, C.J. | 登録日 | 2013-10-23 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4O7A
| Crystal structure of the first bromodomain of human BRD4 in complex with SB-409514 | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4CET
| Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with dicoumarol at 2.2 A resolution | 分子名称: | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | 著者 | Lienhart, W.D, Gudipati, V, Uhl, M.K, Binter, A, Pulido, S, Saf, R, Zangger, K, Gruber, K, Macheroux, P. | 登録日 | 2013-11-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Collapse of the Native Structure by a Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (Nqo1). FEBS J., 281, 2014
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4CF6
| Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with Cibacron blue at 2.7 A resolution | 分子名称: | CIBACRON BLUE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | 著者 | Lienhart, W.D, Gudipati, V, Uhl, M.K, Binter, A, Pulido, S, Saf, R, Zangger, K, Gruber, K, Macheroux, P. | 登録日 | 2013-11-13 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.694 Å) | 主引用文献 | Collapse of the Native Structure by a Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (Nqo1). FEBS J., 281, 2014
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3RNU
| Structural Basis of Cytosolic DNA Sensing by Innate Immune Receptors | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*GP*GP*CP*C)-3'), ... | 著者 | Jin, T.C, Xiao, T. | 登録日 | 2011-04-22 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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4FGT
| Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme. | 分子名称: | CG peptide, SULFATE ION, Thymidylate synthase | 著者 | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | 登録日 | 2012-06-04 | 公開日 | 2013-03-06 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides. J.Med.Chem., 58, 2015
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3TYT
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1UL1
| Crystal structure of the human FEN1-PCNA complex | 分子名称: | Flap endonuclease-1, MAGNESIUM ION, Proliferating cell nuclear antigen | 著者 | Sakurai, S, Kitano, K, Yamaguchi, H, Hamada, K, Okada, K, Fukuda, K, Uchida, M, Ohtsuka, E, Morioka, H, Hakoshima, T. | 登録日 | 2003-09-05 | 公開日 | 2005-03-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for recruitment of human flap endonuclease 1 to PCNA EMBO J., 24, 2005
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4EZ8
| Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate | 分子名称: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ... | 著者 | Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W. | 登録日 | 2012-05-02 | 公開日 | 2013-05-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate Pteridines, 2013
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3L0E
| X-ray crystal structure of a Potent Liver X Receptor Modulator | 分子名称: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, Nuclear receptor coactivator 2, Oxysterols receptor LXR-beta | 著者 | Gampe Jr, R.T. | 登録日 | 2009-12-09 | 公開日 | 2010-04-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of tertiary sulfonamides as potent liver X receptor antagonists. J.Med.Chem., 53, 2010
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3L3L
| PARP complexed with A906894 | 分子名称: | 3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | 著者 | Park, C.H. | 登録日 | 2009-12-17 | 公開日 | 2010-12-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery and SAR of substituted 3-oxoisoindoline-4-carboxamides as potent inhibitors of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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4N1O
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3TO8
| Crystal structure of the two C-terminal RRM domains of heterogeneous nuclear ribonucleoprotein L (hnRNP L) | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Heterogeneous nuclear ribonucleoprotein L, ... | 著者 | Zhang, W.J, Zeng, F.X, Liu, Y.W, Zhao, Y, Niu, L.W, Teng, M.K, Li, X. | 登録日 | 2011-09-04 | 公開日 | 2012-03-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Crystal structure of the two C-terminal RRM domains of heterogeneous nuclear ribonucleoprotein L (hnRNP L) To be Published
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3L82
| X-ray Crystal structure of TRF1 and Fbx4 complex | 分子名称: | F-box only protein 4, Telomeric repeat-binding factor 1 | 著者 | Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M. | 登録日 | 2009-12-29 | 公開日 | 2010-03-09 | 最終更新日 | 2013-09-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4) Dev.Cell, 18, 2010
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4N1R
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4MZ7
| Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | 著者 | Zhu, C, Gao, W, Zhao, K, Qin, X, Zhang, Y, Peng, X, Zhang, L, Dong, Y, Zhang, W, Li, P, Wei, W, Gong, Y, Yu, X.F. | 登録日 | 2013-09-29 | 公開日 | 2013-11-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase Nat Commun, 4, 2013
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3LGE
| Crystal structure of rabbit muscle aldolase-SNX9 LC4 complex | 分子名称: | Fructose-bisphosphate aldolase A, Sorting nexin-9 | 著者 | Rangarajan, E.S, Park, H, Fortin, E, Sygusch, J, Izard, T. | 登録日 | 2010-01-20 | 公開日 | 2010-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanism of aldolase control of sorting nexin 9 function in endocytosis. J.Biol.Chem., 285, 2010
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1UPV
| Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | 分子名称: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA | 著者 | Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. | 登録日 | 2003-10-13 | 公開日 | 2004-10-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist J.Mol.Biol., 334, 2003
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