3NBP
 
 | | HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 | | 分子名称: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Harris, S.F, Villasenor, A.G. | | 登録日 | 2010-06-03 | | 公開日 | 2010-08-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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3CB5
 | | Crystal Structure of the S. pombe Peptidase Homology Domain of FACT complex subunit Spt16 (form A) | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FACT complex subunit spt16 | | 著者 | Stuwe, T, Hothorn, M, Lejeune, E, Bortfeld-Miller, M, Scheffzek, K, Ladurner, A.G. | | 登録日 | 2008-02-21 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The FACT Spt16 "peptidase" domain is a histone H3-H4 binding module
Proc.Natl.Acad.Sci.USA, 105, 2008
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3UDL
 | | 3-heterocyclyl quinolone bound to HCV NS5B | | 分子名称: | 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase | | 著者 | Somoza, J.R. | | 登録日 | 2011-10-28 | | 公開日 | 2011-12-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | | 主引用文献 | Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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1Y1T
 | | Crystal Structure of the Uridine Phosphorylase from Salmonella Typhimurium at 1.77A Resolution | | 分子名称: | GLYCEROL, SULFATE ION, Uridine phosphorylase | | 著者 | Gabdoulkhakov, A.G, Dontsova, M.V, Kachalova, G.S, Betzel, C, Ealick, S.E, Mikhailov, A.M. | | 登録日 | 2004-11-19 | | 公開日 | 2005-11-22 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Crystal Structures of Salmonella Typhimurium Uridine Phosphorylase in Native and Three Complexes Forms - with Uridine, Uracil and Sulfate.
To be Published
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3H2L
 | | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | | 分子名称: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | | 著者 | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | | 登録日 | 2009-04-14 | | 公開日 | 2009-12-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
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1Y1R
 | | Crystal Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with Inhibitor and Phosphate Ion at 2.11A Resolution | | 分子名称: | 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil, PHOSPHATE ION, Uridine phosphorylase | | 著者 | Dontsova, M.V, Gabdoulkhakov, A.G, Kachalova, G.S, Betzel, C, Ealick, S.E, Mikhailov, A.M. | | 登録日 | 2004-11-19 | | 公開日 | 2005-11-22 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Crystal Structures of Salmonella Typhimurium Uridine Phosphorylase in Complex with Inhibitor and Phosphate.
To be Published
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1Y1Q
 | | Crystal Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with Uridine-5p-monophosphate and Sulfate Ion at 2.35A Resolution | | 分子名称: | SULFATE ION, URIDINE-5'-MONOPHOSPHATE, Uridine phosphorylase | | 著者 | Gabdoulkhakov, A.G, Dontsova, M.V, Kachalova, G.S, Betzel, C, Ealick, S.E, Mikhailov, A.M. | | 登録日 | 2004-11-19 | | 公開日 | 2005-11-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal Structures of Salmonella Typhimurium Uridine Phosphorylase in Native and Three Complexes Forms - with Uridine, Uracil and Sulfate.
To be Published
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1Y1S
 | | Crystal Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with Uracil and Sulfate Ion at 2.55A Resolution | | 分子名称: | SULFATE ION, URACIL, Uridine phosphorylase | | 著者 | Gabdoulkhakov, A.G, Dontsova, M.V, Kachalova, G.S, Betzel, C, Ealick, S.E, Mikhailov, A.M. | | 登録日 | 2004-11-19 | | 公開日 | 2005-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal Structures of Salmonella Typhimurium Uridine Phosphorylase in Native and Three Complexes Forms - with Uridine, Uracil and Sulfate.
To be Published
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2PGA
 | | X-ray Structure of the Uridine Phosphorylase From SALMONELLA TYPHIMURIUM in Complex with Inhibitor and Phosphate and Potassium Ion at 1.74 A Resolution | | 分子名称: | 2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Timofeev, V.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | 登録日 | 2007-04-09 | | 公開日 | 2008-04-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | X-ray Structure of the Uridine Phosphorylase From SALMONELLA TYPHIMURIUM in Complex with Inhibitor and Phosphate and Potassium Ion at 1.74 A Resolution
To be Published
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3OZE
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6EXH
 | | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Fe(II)/succinate/(4R)-4-hydroxy-L-lysine | | 分子名称: | 4-HYDROXY-LYSINE, FE (III) ION, GLYCEROL, ... | | 著者 | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | | 登録日 | 2017-11-08 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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9NWE
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6EUO
 | | Crystal structure of APO Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 | | 分子名称: | D-MALATE, FE (III) ION, GLYCEROL, ... | | 著者 | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | | 登録日 | 2017-10-30 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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9UY3
 | | Anamorelin bound growth hormone secretagogue receptor in complex with Gq | | 分子名称: | 2-azanyl-N-[(2R)-1-[(3S)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide, CHOLESTEROL, Engineered G-alpha-q subunit, ... | | 著者 | Wang, R, Sun, J, Liu, H, Guo, S, Zhang, Y, Hu, W, Wang, J, Liu, H, Zhuang, Y, Jiang, Y, Xie, X, Xu, H.E, Wang, Y. | | 登録日 | 2025-05-14 | | 公開日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | | 主引用文献 | Molecular recognition of two approved drugs Macimorelin and Anamorelin by the growth hormone secretagogue receptor.
Acta Pharmacol.Sin., 2025
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6F07
 | | CBF3 Core Complex | | 分子名称: | Centromere DNA-binding protein complex CBF3 subunit B, Suppressor of kinetochore protein 1, ZINC ION | | 著者 | Leber, V, Singleton, M.R. | | 登録日 | 2017-11-17 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis for assembly of the CBF3 kinetochore complex.
EMBO J., 37, 2018
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9NWD
 | | Human E3 ligase UBR4-KCMF1-calmodulin complex (N-terminal) | | 分子名称: | E3 ubiquitin-protein ligase UBR4 | | 著者 | Yang, Z, Haakonsen, D.L, Heider, M, Witus, S.R, Zelter, A, Beschauner, T, MacCoss, M.J, Rape, M. | | 登録日 | 2025-03-22 | | 公開日 | 2025-06-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Molecular basis of SIFI activity in the integrated stress response.
Nature, 2025
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9V2N
 | | Macimorelin bound growth hormone secretagogue receptor in complex with Gq | | 分子名称: | Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, R, Sun, J, Liu, H, Guo, S, Zhang, Y, Hu, W, Wang, J, Liu, H, Zhuang, Y, Jiang, Y, Xie, X, Xu, H, Wang, Y. | | 登録日 | 2025-05-20 | | 公開日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | | 主引用文献 | Molecular recognition of two approved drugs Macimorelin and Anamorelin by the growth hormone secretagogue receptor.
Acta Pharmacol.Sin., 2025
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5JJL
 | | Rho transcription termination factor bound to rU8 and 5 ADP-BeF3 molecules | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | 著者 | Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M. | | 登録日 | 2016-04-24 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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7RYN
 | | CD1a-sulfatide-gdTCR complex | | 分子名称: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wegrecki, M, Le Nours, J, Rossjohn, J. | | 登録日 | 2021-08-25 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
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7RYO
 | | CD1a-dideoxymycobactin-gdTCR complex | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, SULFATE ION, ... | | 著者 | Wegrecki, M, Le Nours, J, Rossjohn, J. | | 登録日 | 2021-08-25 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
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6FLP
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7RYM
 | | CD1a-endo-gdTCR complex | | 分子名称: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | 著者 | Wegrecki, M, Le Nours, J, Rossjohn, J. | | 登録日 | 2021-08-25 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
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6EUR
 | | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Fe(II)/alpha-ketoglutarate | | 分子名称: | 2-OXOGLUTARIC ACID, FE (III) ION, GLYCEROL, ... | | 著者 | Isabet, T, Stura, E, Legrand, P, Zaparucha, A, Bastard, K. | | 登録日 | 2017-10-31 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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6F2E
 | | Crystal structure of the APO Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 | | 分子名称: | ACETIC ACID, L-lysine 3-hydroxylase | | 著者 | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | | 登録日 | 2017-11-24 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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6F20
 | | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | 登録日 | 2017-11-23 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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