6ZNW
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3U7T
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9C0O
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7SQM
| Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | 分子名称: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | 著者 | Shu, W, Yokokawa, F. | 登録日 | 2021-11-05 | 公開日 | 2021-12-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia. Malar. J., 2009, 8, 10, 2009
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5C6E
| Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state | 分子名称: | CYANIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Dajnowicz, S, Sean, S, Hanson, B.L, Fisher, S.Z, Langan, P, Kovalevsky, A.Y, Mueser, T.C. | 登録日 | 2015-06-22 | 公開日 | 2016-06-22 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state. Acta Crystallogr D Struct Biol, 72, 2016
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3QYS
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8CEM
| Structure of bovine native C3, re-refinement | 分子名称: | Complement C3 alpha chain, Complement C3 beta chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Andersen, G.R, Fredslund, F. | 登録日 | 2023-02-02 | 公開日 | 2023-04-05 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The structure of bovine complement component 3 reveals the basis for thioester function. J Mol Biol, 361, 2006
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8C3P
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4JEC
| Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir | 分子名称: | CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | 著者 | Kovalevsky, A.Y, Weber, I.T, Langan, P. | 登録日 | 2013-02-26 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION | 主引用文献 | Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design. J.Med.Chem., 56, 2013
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7LM4
| The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 | 分子名称: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | 登録日 | 2021-02-05 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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7BBM
| Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX | 分子名称: | 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260 | 著者 | Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G. | 登録日 | 2020-12-18 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Chemogenetic engineering of nitrobindin toward an artificial epoxygenase Catalysis Science And Technology, 2021
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5V74
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7DZ5
| Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii | 分子名称: | D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ... | 著者 | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | 登録日 | 2021-01-23 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening Angew.Chem.Int.Ed.Engl., 2023
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8OT2
| Structural and functional studies of geldanamycin amide synthase ShGdmF | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ... | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | 登録日 | 2023-04-20 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
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6T6H
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6T6Z
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6T6Y
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6T70
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7Z3U
| Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-02 | 公開日 | 2023-03-22 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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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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4HKL
| Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | 登録日 | 2012-10-15 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4HKO
| Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | 登録日 | 2012-10-15 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4HKW
| Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ... | 著者 | Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L. | 登録日 | 2012-10-15 | 公開日 | 2014-01-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4HK8
| Crystal Structures of Mutant Endo- -1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | 分子名称: | CITRIC ACID, Endo-1,4-beta-xylanase 2, GLYCEROL, ... | 著者 | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | 登録日 | 2012-10-15 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.151 Å) | 主引用文献 | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4HK9
| Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | 分子名称: | Endo-1,4-beta-xylanase 2, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | 著者 | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | 登録日 | 2012-10-15 | 公開日 | 2014-01-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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