4IAD
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4IAZ
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4PSY
| 100K crystal structure of Escherichia coli dihydrofolate reductase | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A. | 登録日 | 2014-03-08 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 22, 2014
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4RGC
| 277K Crystal structure of Escherichia Coli dihydrofolate reductase | 分子名称: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | 著者 | Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C. | 登録日 | 2014-09-29 | 公開日 | 2014-10-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 111, 2014
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7TUR
| Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | 著者 | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | 登録日 | 2022-02-03 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-25 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chem Sci, 13, 2022
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5T8H
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5WEY
| Joint X-ray/neutron structure of Concanavalin A with alpha1-2 D-mannobiose | 分子名称: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | 著者 | Kovalevsky, A, Gerlits, O.O, Woods, R.J. | 登録日 | 2017-07-11 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography. Biochemistry, 56, 2017
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7JY2
| Z-DNA joint X-ray/Neutron | 分子名称: | Chains: A,B | 著者 | Harp, J.M, Coates, L, Egli, M. | 登録日 | 2020-08-28 | 公開日 | 2021-04-28 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | 主引用文献 | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography. Nucleic Acids Res., 49, 2021
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7LB7
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A.Y, Kneller, D.W, Coates, L. | 登録日 | 2021-01-07 | 公開日 | 2021-01-20 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography. J.Med.Chem., 64, 2021
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6BBS
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | 分子名称: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, Aggarwal, M, McKenna, R. | 登録日 | 2017-10-19 | 公開日 | 2018-02-28 | 最終更新日 | 2024-03-13 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BCC
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | 分子名称: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, McKenna, R, Aggarwal, M. | 登録日 | 2017-10-20 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BC9
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | 分子名称: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, McKenna, R, Aggarwal, M. | 登録日 | 2017-10-20 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BQ8
| Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ... | 著者 | Kim, C, Kovalevsky, A, Gerlits, O. | 登録日 | 2017-11-27 | 公開日 | 2018-03-21 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator. Biochemistry, 57, 2018
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6D4L
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