2PRM
 
 | | The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site | | 分子名称: | Dihydroorotate dehydrogenase, mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Walse, B, Dufe, V.T, Al-Karadaghi, S. | | 登録日 | 2007-05-04 | | 公開日 | 2008-05-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites
Biochemistry, 47, 2008
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4IU4
 | | Crystal structure of Leishmania mexicana arginase in complex with inhibitor BEC | | 分子名称: | Arginase, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | 著者 | D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W. | | 登録日 | 2013-01-19 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
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2WM1
 | | The crystal structure of human alpha-amino-beta-carboxymuconate- epsilon-semialdehyde decarboxylase in complex with 1,3- dihydroxyacetonephosphate suggests a regulatory link between NAD synthesis and glycolysis | | 分子名称: | 1,3-DIHYDROXYACETONEPHOSPHATE, 2-AMINO-3-CARBOXYMUCONATE-6-SEMIALDEHYDE DECARBOXYLASE, GLYCEROL, ... | | 著者 | Garavaglia, S, Perozzi, S, Galeazzi, L, Raffaelli, N, Rizzi, M. | | 登録日 | 2009-06-29 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | The Crystal Structure of Human Alpha-Amino-Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase in Complex with 1,3-Dihydroxyacetonephosphate Suggests a Regulatory Link between Nad Synthesis and Glycolysis
FEBS J., 276, 2009
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5CQT
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | 分子名称: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | 登録日 | 2015-07-22 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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2X2L
 | | Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor | | 分子名称: | (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | 著者 | Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q. | | 登録日 | 2010-01-13 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
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2GYU
 | | Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6 | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S. | | 登録日 | 2006-05-10 | | 公開日 | 2006-08-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
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2X22
 | | crystal structure of M. tuberculosis InhA inhibited by PT70 | | 分子名称: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ... | | 著者 | Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C. | | 登録日 | 2010-01-10 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis.
J.Biol.Chem., 285, 2010
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2XAC
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2OVF
 | | Crystal Structure of StaL-PAP complex | | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, StaL | | 著者 | Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | 登録日 | 2007-02-13 | | 公開日 | 2007-02-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis.
J.Biol.Chem., 282, 2007
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3B9M
 | | Human serum albumin complexed with myristate, 3'-azido-3'-deoxythymidine (AZT) and salicylic acid | | 分子名称: | 2-HYDROXYBENZOIC ACID, 3'-azido-3'-deoxythymidine, MYRISTIC ACID, ... | | 著者 | Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M. | | 登録日 | 2007-11-05 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography
J.Struct.Biol., 162, 2008
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3E5A
 | | Crystal structure of Aurora A in complex with VX-680 and TPX2 | | 分子名称: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SULFATE ION, Serine/threonine-protein kinase 6, ... | | 著者 | Zhao, B, Smallwood, A, Lai, Z. | | 登録日 | 2008-08-13 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Modulation of kinase-inhibitor interactions by auxiliary protein binding: crystallography studies on Aurora A interactions with VX-680 and with TPX2.
Protein Sci., 17, 2008
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2H44
 | | Crystal structure of PDE5A1 in complex with icarisid II | | 分子名称: | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE, MAGNESIUM ION, ZINC ION, ... | | 著者 | Wang, H, Ke, H. | | 登録日 | 2006-05-23 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
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5BY9
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3BDJ
 | | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor | | 分子名称: | CALCIUM ION, CARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F, Nishino, T. | | 登録日 | 2007-11-14 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mechanism of inhibition of xanthine oxidoreductase by allopurinol: crystal structure of reduced bovine milk xanthine oxidoreductase bound with oxipurinol.
Nucleosides Nucleotides Nucleic Acids, 27, 2008
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3H6K
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3EDY
 | | Crystal Structure of the Precursor Form of Human Tripeptidyl-Peptidase 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Guhaniyogi, J, Sohar, I, Das, K, Lobel, P, Stock, A.M. | | 登録日 | 2008-09-03 | | 公開日 | 2008-11-18 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis
J.Biol.Chem., 284, 2009
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2PC0
 | | Apo Wild-type HIV Protease in the open conformation | | 分子名称: | MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL | | 著者 | Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D. | | 登録日 | 2007-03-29 | | 公開日 | 2007-06-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
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2X7O
 | | Crystal structure of TGFbRI complexed with an indolinone inhibitor | | 分子名称: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | | 著者 | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | | 登録日 | 2010-03-03 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
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3EID
 | | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | | 分子名称: | (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, Cell division protein kinase 2, Cyclin-A2 | | 著者 | Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | | 登録日 | 2008-09-15 | | 公開日 | 2008-10-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3W6W
 | | Crystal structure of melB holo-protyrosinase from Asperugillus oryzae | | 分子名称: | COPPER (II) ION, Tyrosinase | | 著者 | Fujieda, N, Yabuta, S, Ikeda, T, Oyama, T, Muraki, N, Kurisu, G, Itoh, S. | | 登録日 | 2013-02-22 | | 公開日 | 2013-06-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.394 Å) | | 主引用文献 | Crystal structures of copper-depleted and copper-bound fungal pro-tyrosinase: insights into endogenous cysteine-dependent copper incorporation.
J.Biol.Chem., 288, 2013
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2HB2
 | | Structure of HIV protease 6X mutant in apo form | | 分子名称: | Protease | | 著者 | Heaslet, H, Tam, K, Elder, J.H, Stout, C.D. | | 登録日 | 2006-06-13 | | 公開日 | 2007-06-26 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
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3BJC
 | | Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor | | 分子名称: | 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H. | | 登録日 | 2007-12-03 | | 公開日 | 2008-04-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies
BIOCHEM.PHARM., 75, 2008
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2PEQ
 | | Crystal structure of RbcX, crystal form II | | 分子名称: | ORF134 | | 著者 | Saschenbrecker, S, Bracher, A, Vasudeva Rao, K, Vasudeva Rao, B, Hartl, F.U, Hayer-Hartl, M. | | 登録日 | 2007-04-03 | | 公開日 | 2007-07-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure and Function of RbcX, an Assembly Chaperone for Hexadecameric Rubisco.
Cell(Cambridge,Mass.), 129, 2007
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2WOM
 | | Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (K103N). | | 分子名称: | 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE | | 著者 | Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H. | | 登録日 | 2009-07-27 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1.
Antimicrob. Agents Chemother., 54, 2010
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2P1V
 | | Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | | 分子名称: | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha | | 著者 | Bourguet, W, Nahoum, V. | | 登録日 | 2007-03-06 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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