4KFA
 
 | | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate | | 分子名称: | 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | 著者 | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | | 登録日 | 2013-04-26 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
To be Published
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8C1H
 | | Aurora A kinase in complex with TPX2-inhibitor 8 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.233 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8C1F
 | | Aurora A kinase in complex with TPX2-inhibitor 6 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.924 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8C1G
 | | Aurora A kinase in complex with TPX2-inhibitor 7 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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8GYM
 | | Cryo-EM structure of Tetrahymena thermophila respiratory mega-complex MC IV2+(I+III2+II)2 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | | 著者 | Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L. | | 登録日 | 2022-09-23 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
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8CO4
 | | Crystal structure of apo S-nitrosoglutathione reductase from Arabidopsis thalina | | 分子名称: | 1,2-ETHANEDIOL, Alcohol dehydrogenase class-3, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Fermani, S, Fanti, S, Carloni, G, Rossi, J, Falini, G, Zaffagnini, M. | | 登録日 | 2023-02-27 | | 公開日 | 2024-02-21 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
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4L1Q
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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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4KZP
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4L6C
 | | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor pib-t | | 分子名称: | 1,2-ETHANEDIOL, 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, ... | | 著者 | Pachl, P, Brynda, J, Rezacova, P. | | 登録日 | 2013-06-12 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
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2FNW
 | | Pseudomonas aeruginosa E2Q/H83Q/M109H-azurin RE(PHEN)(CO)3 | | 分子名称: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | | 著者 | Gradinaru, C, Crane, B.R. | | 登録日 | 2006-01-11 | | 公開日 | 2006-10-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Excited-state dynamics of structurally characterized [ReI(CO)3(phen)(HisX)]+ (X = 83, 109) Pseudomonas aeruginosa azurins in aqueous solution.
J.Am.Chem.Soc., 128, 2006
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6CGM
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2PP7
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6CEZ
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6CK0
 | | Crystal Structure of Biotin Acetyl Coenzyme A Carboxylase Synthetase from Helicobacter pylori with bound Biotinylated ATP | | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(S)-({5-[(2R,3aS,4S,6aR)-2-hydroxyhexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine, Biotin acetyl coenzyme A carboxylase synthetase, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2018-02-27 | | 公開日 | 2018-04-04 | | 最終更新日 | 2025-01-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Co-crystal structure of Helicobacter pylori biotin protein ligase with biotinyl-5-ATP.
Acta Crystallogr.,Sect.F, 81, 2025
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6UXC
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4KNE
 | | Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil | | 分子名称: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase | | 著者 | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | | 登録日 | 2013-05-09 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
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2PPA
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3VTF
 | | Structure of a UDP-glucose dehydrogenase from the hyperthermophilic archaeon Pyrobaculum islandicum | | 分子名称: | 1,2-ETHANEDIOL, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | 著者 | Sakuraba, H, Ohshima, T, Yoneda, K. | | 登録日 | 2012-05-29 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of a UDP-glucose dehydrogenase from the hyperthermophilic archaeon Pyrobaculum islandicum.
Acta Crystallogr.,Sect.F, 68, 2012
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2F9W
 | | Structure of the type III CoaA from Pseudomonas aeruginosa | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, PANTOTHENOIC ACID, ... | | 著者 | Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S. | | 登録日 | 2005-12-06 | | 公開日 | 2006-08-22 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties.
Structure, 14, 2006
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8C3B
 | | X-ray structure of RNase A upon reaction with a Ruthenium(II)-arene Complexed with Glycosylated Carbene Ligands (5) | | 分子名称: | (1,3-dimethyl-2~{H}-imidazol-2-yl)-oxidanyl-oxidanylidene-ruthenium, (1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)ruthenium, (1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium, ... | | 著者 | Ferraro, G, Merlino, A. | | 登録日 | 2022-12-23 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Ruthenium(II)–Arene Complexes with Glycosylated NHC-Carbene Co-Ligands: Synthesis, Hydrolytic Behavior, and Binding to Biological Molecules
Organometallics, 42, 2023
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2FDV
 | | Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ... | | 著者 | Yano, J.K, Stout, C.D, Johnson, E.F. | | 登録日 | 2005-12-14 | | 公開日 | 2006-11-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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3VZP
 | | Crystal structure of PhaB from Ralstonia eutropha | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Acetoacetyl-CoA reductase, GLYCEROL, ... | | 著者 | Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M. | | 登録日 | 2012-10-15 | | 公開日 | 2013-08-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
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6CGN
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2FJL
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