7P2T
 
 | | Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative | | 分子名称: | 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | | 著者 | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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7P2U
 | | Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | | 分子名称: | 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | | 著者 | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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6BL2
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15 | | 分子名称: | 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid, CALCIUM ION, ISOCITRIC ACID, ... | | 著者 | Jakob, C.G, Qiu, W. | | 登録日 | 2017-11-09 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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7P3U
 | | Chitin-active fungal AA11 LPMO | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, putative | | 著者 | Rohr, A.K, Stoepamo, F.G, Eijsink, V.G.H. | | 登録日 | 2021-07-08 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Characterization of a lytic polysaccharide monooxygenase from Aspergillus fumigatus shows functional variation among family AA11 fungal LPMOs.
J.Biol.Chem., 297, 2021
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7W2U
 | | Active state CI from DQ-NADH dataset, Subclass 2 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-11-24 | | 公開日 | 2023-02-01 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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3HT7
 | | 2-ethylphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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7W4J
 | | Deactive state CI from Q1-NADH dataset, Subclass 1 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Gu, J, Yang, M. | | 登録日 | 2021-11-28 | | 公開日 | 2023-01-25 | | 最終更新日 | 2023-06-28 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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3HTF
 | | 4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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7W31
 | | Deactive state CI from DQ-NADH dataset, Subclass 1 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-11-24 | | 公開日 | 2023-02-01 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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4RDZ
 | | Crystal structure of VmoLac in P64 space group | | 分子名称: | COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ... | | 著者 | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | 登録日 | 2014-09-20 | | 公開日 | 2015-02-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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7W4D
 | | Active state CI from Q1-NADH dataset, Subclass 2 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-11-27 | | 公開日 | 2023-02-01 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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4REK
 | | Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution | | 分子名称: | Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION | | 著者 | Zarychta, B, Lyubimov, A, Ahmed, M, Munshi, P, Guillot, B, Vrielink, A. | | 登録日 | 2014-09-23 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (0.74 Å) | | 主引用文献 | Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis.
Acta Crystallogr.,Sect.D, 71, 2015
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7RF6
 | | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2021-07-13 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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4RF5
 | | Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant | | 分子名称: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | | 著者 | Tang, Y, Tibrewal, N, Cascio, D. | | 登録日 | 2014-09-24 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.596 Å) | | 主引用文献 | Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7RF4
 | | RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2021-07-13 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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7RF2
 | | RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2021-07-13 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
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6BOG
 | | Crystal structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription | | 分子名称: | RNA polymerase-associated protein RapA, SULFATE ION | | 著者 | Shaw, G.X, Gan, J, Zhou, Y.N, Zhang, R, Joachimiak, A, Jin, D.J, Ji, X. | | 登録日 | 2017-11-20 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.205 Å) | | 主引用文献 | Structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription.
Structure, 16, 2008
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2JSZ
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6BOS
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7W20
 | | Active state CI from Rotenone-NADH dataset, Subclass 3 | | 分子名称: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-11-21 | | 公開日 | 2023-01-18 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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2UZZ
 | | X-ray structure of N-methyl-L-tryptophan oxidase (MTOX) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-METHYL-L-TRYPTOPHAN OXIDASE, SODIUM ION | | 著者 | Ilari, A, Fiorillo, A, Franceschini, S, Bonamore, A, Colotti, G, Boffi, A. | | 登録日 | 2007-05-03 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The X-Ray Structure of N-Methyltryptophan Oxidase Reveals the Structural Determinants of Substrate Specificity.
Proteins, 71, 2008
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2V27
 | | Structure of the cold active phenylalanine hydroxylase from Colwellia psychrerythraea 34H | | 分子名称: | FE (III) ION, PHENYLALANINE HYDROXYLASE, SULFATE ION | | 著者 | Leiros, H.-K.S, Pey, A.L, Innselset, M, Moe, E, Leiros, I, Steen, I.H, Martinez, A. | | 登録日 | 2007-06-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of Phenylalanine Hydroxylase from Colwellia Psychrerythraea 34H, a Monomeric Cold Active Enzyme with Local Flexibility Around the Active Site and High Overall Stability.
J.Biol.Chem., 282, 2007
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7W2R
 | | Active state CI from DQ-NADH dataset, Subclass 1 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-11-24 | | 公開日 | 2023-02-01 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
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7WSX
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4N8Z
 | | In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand | | 分子名称: | BENZAMIDINE, CHLORIDE ION, Lysozyme C, ... | | 著者 | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | 登録日 | 2013-10-18 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
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