7AQ5
 
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583N | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AQ6
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583F | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.514 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7B3E
 | | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | 分子名称: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | 登録日 | 2020-11-30 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
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4LZ4
 | | X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 3 nucleobase | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | | 著者 | Pica, A, Russo Krauss, I, Merlino, A, Sica, F. | | 登録日 | 2013-07-31 | | 公開日 | 2014-01-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Dissecting the contribution of thrombin exosite I in the recognition of thrombin binding aptamer.
Febs J., 280, 2013
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7AQ7
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.608 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AQ3
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583D | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.639 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7WBO
 | | Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | | 著者 | Chen, Y, Jin, T, Liu, G. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
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6FFB
 | | 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal inhibitor | | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | | 著者 | Bertoletti, N, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | 登録日 | 2018-01-05 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
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7AEW
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7AQ4
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H583E | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.708 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7APY
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.778 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AQA
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H382A | | 分子名称: | (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.497 Å) | | 主引用文献 | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
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6FJT
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7AQ0
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A/S550A | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AP3
 | | Crystal structure of E. coli tyrosyl-tRNA synthetase in complex with TyrS7HMDDA | | 分子名称: | SODIUM ION, Tyrosine--tRNA ligase, [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate | | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-10-15 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
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4LXB
 | | Crystal Structure Analysis of thrombin in complex with compound D58 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ... | | 著者 | Stehlin-Gaon, C, Bocskei, Z. | | 登録日 | 2013-07-29 | | 公開日 | 2014-06-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
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7XSF
 | | Crystal structure of ClAgl29A | | 分子名称: | Alpha-L-fucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M. | | 登録日 | 2022-05-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | | 主引用文献 | Discovery of alpha-l-Glucosidase Raises the Possibility of alpha-l-Glucosides in Nature.
Acs Omega, 7, 2022
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7AHB
 | | Acyltransferase domain of the polyketide synthase PpsC of Mycobacterium tuberculosis | | 分子名称: | GLYCEROL, Phthiocerol synthesis polyketide synthase type I PpsC, SODIUM ION, ... | | 著者 | Faille, A, Mourey, L, Pedelacq, J.D. | | 登録日 | 2020-09-24 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases.
Acs Chem.Biol., 15, 2020
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7XSG
 | | Crystal structure of ClAgl29B | | 分子名称: | Alpha-L-fucosidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M. | | 登録日 | 2022-05-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.609 Å) | | 主引用文献 | Discovery of alpha-l-Glucosidase Raises the Possibility of alpha-l-Glucosides in Nature.
Acs Omega, 7, 2022
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1TAE
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7AKC
 | | Structure of the of AcylTransferase domain of phenolphthiocerol/phtiocerol synthase A from Mycobacterium bovis (BCG) | | 分子名称: | Phenolpthiocerol synthesis type-I polyketide synthase ppsA, SODIUM ION | | 著者 | Brison, Y, Nahoum, V, Mourey, L, Maveyraud, L. | | 登録日 | 2020-09-30 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases.
Acs Chem.Biol., 15, 2020
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7YKB
 | | Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature | | 分子名称: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION | | 著者 | Unno, M, Nanasawa, R. | | 登録日 | 2022-07-22 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
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7XSH
 | | Crystal structure of ClAgl29B bound with L-glucose | | 分子名称: | Alpha-L-fucosidase, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Shishiuchi, R, Kang, H, Tagami, T, Okuyama, M. | | 登録日 | 2022-05-14 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.708 Å) | | 主引用文献 | Discovery of alpha-l-Glucosidase Raises the Possibility of alpha-l-Glucosides in Nature.
Acs Omega, 7, 2022
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7AMD
 | | In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design | | 分子名称: | Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | 著者 | Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A. | | 登録日 | 2020-10-08 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1TEC
 | | CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C | | 分子名称: | CALCIUM ION, EGLIN C, SODIUM ION, ... | | 著者 | Gros, P, Dijkstra, B.W, Hol, W.G.J. | | 登録日 | 1989-05-24 | | 公開日 | 1989-10-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c.
Acta Crystallogr.,Sect.B, 45, 1989
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