1HY1
 
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4OPJ
 | | Bh-RNaseH:tcdA-DNA complex | | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*(TCY)P*TP*TP*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H | | 著者 | Pallan, P.S, Egli, M. | | 登録日 | 2014-02-05 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.541 Å) | | 主引用文献 | Generating Crystallographic Models of DNA Dodecamers from Structures of RNase H:DNA Complexes.
Methods Mol.Biol., 1320
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3HC6
 | | FXR with SRC1 and GSK088 | | 分子名称: | 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2009-05-05 | | 公開日 | 2009-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
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3S5J
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3NS2
 | | High-resolution structure of pyrabactin-bound PYL2 | | 分子名称: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2 | | 著者 | Hao, Q, Yin, P, Yan, C, Yuan, X, Wang, J, Yan, N. | | 登録日 | 2010-07-01 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.634 Å) | | 主引用文献 | Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2
J.Biol.Chem., 285, 2010
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1NZ7
 | | POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, complexed with compound 19. | | 分子名称: | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM INO]-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | 著者 | Xin, Z, Oost, T.K, Abad-Zapatero, C, Hajduk, P.J, Pei, Z, Szczepankiewicz, B.G, Hutchins, C.W, Ballaron, S.J, Stashko, M.A, Lubben, T, Trevillyan, J.M, Jirousek, M.R, Liu, G. | | 登録日 | 2003-02-16 | | 公開日 | 2003-05-20 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
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3V52
 | | Structure of a monoclonal antibody complexed with its MHC-I antigen | | 分子名称: | 1,2-ETHANEDIOL, ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, ... | | 著者 | Mage, M.G, Dolan, M.A, Wang, R, Boyd, L.F, Revilleza, M.J, Robinson, H, Natarajan, K, Myers, N.B, Hansen, T.H, Margulies, D.H. | | 登録日 | 2011-12-15 | | 公開日 | 2012-07-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | | 主引用文献 | The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
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3CQL
 | | Crystal Structure of GH family 19 chitinase from Carica papaya | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase, ... | | 著者 | Huet, J, Rucktoa, P, Clantin, B, Azarkan, M, Looze, Y, Villeret, V, Wintjens, R. | | 登録日 | 2008-04-03 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | X-ray Structure of Papaya Chitinase Reveals the Substrate Binding Mode of Glycosyl Hydrolase Family 19 Chitinases.
Biochemistry, 47, 2008
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5BRH
 | | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor DBT-GlcN | | 分子名称: | 2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose, Glucokinase 1, putative | | 著者 | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | | 登録日 | 2015-05-30 | | 公開日 | 2015-06-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Mol.Biochem.Parasitol., 204, 2016
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5BRX
 | | X-ray crystal structure of Aplysia californica (Ac-AChBP) in complex with 2-pyridyl azatricyclo[3.3.1.13,7]decane; 2-pyridylazaadamantane; 2-Aza (TI-8480) | | 分子名称: | (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane, SULFATE ION, Soluble acetylcholine receptor, ... | | 著者 | Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T. | | 登録日 | 2015-06-01 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs
To Be Published
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4CJ5
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | 分子名称: | 5-[(2S)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | 著者 | Peat, T.S. | | 登録日 | 2013-12-19 | | 公開日 | 2014-01-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4OFG
 | | Co-crystal structure of carboxy cGMP binding domain of Plasmodium falciparum PKG with cGMP | | 分子名称: | CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE, ETHANOL, ... | | 著者 | Kim, J.J, Sanabria figueroa, E, Kim, C. | | 登録日 | 2014-01-14 | | 公開日 | 2015-01-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress.
Plos Pathog., 11, 2015
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1HI5
 | | Eosinophil-derived Neurotoxin (EDN) - Adenosine-5'-Diphosphate Complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, EOSINOPHIL-DERIVED NEUROTOXIN | | 著者 | Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R. | | 登録日 | 2001-01-02 | | 公開日 | 2001-05-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
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6N7Y
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3OC1
 | | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding | | 分子名称: | 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14 | | 著者 | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | | 登録日 | 2010-08-09 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
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3CPC
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | | 分子名称: | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | | 著者 | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | 登録日 | 2008-03-31 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
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1PU5
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1TTU
 | | Crystal Structure of CSL bound to DNA | | 分子名称: | 1,2-ETHANEDIOL, 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3', 5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3', ... | | 著者 | Kovall, R.A, Hendrickson, W.A. | | 登録日 | 2004-06-23 | | 公開日 | 2004-08-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structure of the nuclear effector of Notch signaling, CSL, bound to DNA
Embo J., 23, 2004
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2EXM
 | | Human CDK2 in complex with isopentenyladenine | | 分子名称: | Cell division protein kinase 2, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE | | 著者 | Schulze-Gahmen, U. | | 登録日 | 2005-11-08 | | 公開日 | 2005-12-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Multiple modes of ligand recognition: crystal structures of cyclin-dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenine.
Proteins, 22, 1995
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1ZO0
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3H9F
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | | 分子名称: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | | 著者 | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-04-30 | | 公開日 | 2009-05-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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4CTJ
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 3A9 | | 分子名称: | 2,3-dihydro-1-benzofuran-5-carboxylic acid, NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, ... | | 著者 | Barral, K, Bricogne, G, Sharff, A. | | 登録日 | 2014-03-14 | | 公開日 | 2014-04-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
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4FA2
 | | Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 | | 分子名称: | 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ... | | 著者 | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | | 登録日 | 2012-05-21 | | 公開日 | 2013-06-05 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
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4FB2
 | | Crystal Structure of Substrate-Free P450cin | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, P450cin, ... | | 著者 | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | | 登録日 | 2012-05-22 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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2V0N
 | | ACTIVATED RESPONSE REGULATOR PLED IN COMPLEX WITH C-DIGMP AND GTP- ALPHA-S | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ... | | 著者 | Wassmann, P, Schirmer, T. | | 登録日 | 2007-05-15 | | 公開日 | 2007-08-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structure of Bef3--Modified Response Regulator Pled: Implications for Diguanylate Cyclase Activation, Catalysis, and Feedback Inhibition
Structure, 15, 2007
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