1R4P
| Shiga toxin type 2 | 分子名称: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, ... | 著者 | Fraser, M.E, Fujinaga, M, Cherney, M.M, Melton-Celsa, A.R, Twiddy, E.M, O'Brien, A.D, James, M.N.G. | 登録日 | 2003-10-07 | 公開日 | 2004-05-11 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7. J.Biol.Chem., 279, 2004
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1RR9
| Catalytic domain of E.coli Lon protease | 分子名称: | ATP-dependent protease La, SULFATE ION | 著者 | Botos, I, Melnikov, E.E, Cherry, S, Tropea, J.E, Khalatova, A.G, Dauter, Z, Maurizi, M.R, Rotanova, T.V, Wlodawer, A, Gustchina, A. | 登録日 | 2003-12-08 | 公開日 | 2003-12-23 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The catalytic domain of Escherichia coli Lon protease has a unique fold and a Ser-Lys dyad in the active site J.Biol.Chem., 279, 2004
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4P2Q
| Crystal structure of the 5cc7 TCR in complex with 5c2/I-Ek | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5c2 peptide, 5cc7 T-cell receptor alpha chain, ... | 著者 | Birnbaum, M.E, Ozkan, E, Garcia, K.C. | 登録日 | 2014-03-04 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Deconstructing the Peptide-MHC Specificity of T Cell Recognition. Cell, 157, 2014
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1XS1
| dCTP deaminase from Escherichia coli in complex with dUTP | 分子名称: | DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION | 著者 | Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M. | 登録日 | 2004-10-18 | 公開日 | 2004-12-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes J.Biol.Chem., 280, 2005
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5HHT
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8AM2
| Human butyrylcholinesterase in complex with 2,2'-(((1E,1'E)-(2-phenylpyrimidine-4,6-diyl)bis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(N,N,N-trimethyl-2-oxoethan-1-aminium) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Nachon, F, Brazzolotto, X, Dias, J. | 登録日 | 2022-08-02 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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5BWG
| Structure of H200C variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.75 Ang resolution | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kovaleva, E.G, Lipscomb, J.D. | 登録日 | 2015-06-08 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A Long-Lived Fe(III)-(Hydroperoxo) Intermediate in the Active H200C Variant of Homoprotocatechuate 2,3-Dioxygenase: Characterization by Mossbauer, Electron Paramagnetic Resonance, and Density Functional Theory Methods. Inorg.Chem., 54, 2015
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2ANH
| ALKALINE PHOSPHATASE (D153H) | 分子名称: | ALKALINE PHOSPHATASE, PHOSPHATE ION, ZINC ION | 著者 | Murphy, J.E, Tibbitts, T.T, Kantrowitz, E.R. | 登録日 | 1995-09-06 | 公開日 | 1996-01-29 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mutations at positions 153 and 328 in Escherichia coli alkaline phosphatase provide insight towards the structure and function of mammalian and yeast alkaline phosphatases. J.Mol.Biol., 253, 1995
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3V1P
| Crystal structure of the mutant Q185A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION | 著者 | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | 登録日 | 2011-12-09 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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5BW9
| Crystal Structure of Yeast V1-ATPase in the Autoinhibited Form | 分子名称: | V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit D, ... | 著者 | Oot, R.A, Kane, P.M, Berry, E.A, Wilkens, S. | 登録日 | 2015-06-06 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (7 Å) | 主引用文献 | Crystal structure of yeast V1-ATPase in the autoinhibited state. Embo J., 35, 2016
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1Z0B
| Crystal Structure of A. fulgidus Lon proteolytic domain E506A mutant | 分子名称: | CALCIUM ION, Putative protease La homolog type | 著者 | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | 登録日 | 2005-03-01 | 公開日 | 2005-08-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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5E2X
| The crystal structure of the C-terminal domain of Ebola (Tai Forest) nucleoprotein | 分子名称: | NONAETHYLENE GLYCOL, NP | 著者 | Baker, L.E, Handing, K.B, Derewenda, U, Utepbergenov, D, Derewenda, Z.S. | 登録日 | 2015-10-01 | 公開日 | 2015-10-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses. Acta Crystallogr D Struct Biol, 72, 2016
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6NFU
| Structure of the KcsA-G77A mutant or the 2,4-ion bound configuration of a K+ channel selectivity filter. | 分子名称: | (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, NONAN-1-OL, POTASSIUM ION, ... | 著者 | Tilegenova, C, Cortes, D.M, Jahovic, N, Hardy, E, Parameswaran, H, Guan, L, Cuello, L.G. | 登録日 | 2018-12-20 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structure, function, and ion-binding properties of a K+channel stabilized in the 2,4-ion-bound configuration. Proc.Natl.Acad.Sci.USA, 116, 2019
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6TPN
| Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution | 分子名称: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ... | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | 登録日 | 2019-12-13 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.608 Å) | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TQ6
| Crystal structure of the Orexin-1 receptor in complex with Compound 14 | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, Orexin receptor type 1, ... | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | 登録日 | 2019-12-16 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.546 Å) | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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2GLZ
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8BT7
| Notum Inhibitor ARUK3004903 | 分子名称: | 1,2-ETHANEDIOL, 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTC
| Notum Inhibitor ARUK3004558 | 分子名称: | 1,2-ETHANEDIOL, 1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTI
| Notum Inhibitor ARUK3004556 | 分子名称: | 1,2-ETHANEDIOL, 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSP
| Notum Inhibitor ARUK3006560 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-26 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BT5
| Notum Inhibitor ARUK3004877 | 分子名称: | 1,2-ETHANEDIOL, 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSR
| Notum Inhibitor ARUK3006562 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-26 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BT2
| Notum Inhibitor ARUK3004876 | 分子名称: | 1,2-ETHANEDIOL, 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTE
| Notum Inhibitor ARUK3004470 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSQ
| Notum Inhibitor ARUK3006561 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-26 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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