7WJH
 
 | | Crystal structure of Bcl-xL bound to the BH3 domain of human Pxt1 | | 分子名称: | Bcl-2-like protein 1, MAGNESIUM ION, Peroxisomal testis-specific protein 1, ... | | 著者 | Lim, D, Ku, B. | | 登録日 | 2022-01-06 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Structural and biochemical analyses of Bcl-xL in complex with the BH3 domain of peroxisomal testis-specific 1.
Biochem.Biophys.Res.Commun., 625, 2022
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5GR2
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5JVX
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6Y6T
 | | Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 4.6 | | 分子名称: | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Deane, J.E, McLoughlin, J. | | 登録日 | 2020-02-27 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | The Bicyclic Form of galacto -Noeurostegine Is a Potent Inhibitor of beta-Galactocerebrosidase.
Acs Med.Chem.Lett., 12, 2021
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9EYS
 | | Structure of Far-Red Photosystem I from C. thermalis PCC 7203 | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Consoli, G, Tufaill, F, Murray, J.W, Fantuzzi, A, Rutherford, A.W. | | 登録日 | 2024-04-09 | | 公開日 | 2025-04-23 | | 実験手法 | ELECTRON MICROSCOPY (2.01 Å) | | 主引用文献 | Structure of Far-Red Photosystem I from C. thermalis PCC 7203
To Be Published
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5KF4
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6QAE
 | | Human Butyrylcholinesterase in complex with (S)-N2-butyl-N1-(2-cycloheptylethyl)-3-(1H-indol-3-yl)-N1,N2-dimethylpropane-1,2-diamine | | 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, Cholinesterase, ... | | 著者 | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.487 Å) | | 主引用文献 | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
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3KKR
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6QBX
 | | Ovine respiratory supercomplex I+III2 closed class. | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | 著者 | Letts, J.A, Sazanov, L.A. | | 登録日 | 2018-12-24 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
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9F6W
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 1-TND14 | | 分子名称: | 1,2-ETHANEDIOL, 1-(4-ethyl-2-methyl-5-piperazin-1-ylcarbonyl-1~{H}-pyrrol-3-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ... | | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | 登録日 | 2024-05-02 | | 公開日 | 2025-05-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Unusual backfolded binding poses of BAZ2A bromodomain binders
To Be Published
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5E4P
 | | X-ray Crystal Structure Analysis of Magnetically Oriented Microcrystals of Lysozyme at 1.8 angstrom Resolution | | 分子名称: | Lysozyme C | | 著者 | Tsukui, S, Kimura, F, Garman, E.F, Baba, S, Mizuno, N, Mikami, B, Kimura, T. | | 登録日 | 2015-10-06 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | X-ray crystal structure analysis of magnetically oriented microcrystals of lysozyme at 1.8 A resolution
J.Appl.Crystallogr., 49, 2016
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3WA5
 | | Crystal Structure of type VI peptidoglycan muramidase effector Tse3 in complex with its cognate immunity protein Tsi3 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Tse3-specific immunity protein, ... | | 著者 | Ding, J, Wang, T, Liu, W, Wang, D.C. | | 登録日 | 2013-04-26 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Complex structure of type VI peptidoglycan muramidase effector and a cognate immunity protein.
Acta Crystallogr.,Sect.D, 69, 2013
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5MMA
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ379 (compound 5'g) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | 著者 | Maskell, D.P, Pye, V.E, Cherepanov, P. | | 登録日 | 2016-12-09 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
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5GR5
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6SQD
 | | Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-pyrazol-1-ylbenzoic acid | | 分子名称: | 2-pyrazol-1-ylbenzoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | | 登録日 | 2019-09-03 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors.
J.Med.Chem., 63, 2020
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6A0C
 | | Structure of a triple-helix region of human collagen type III | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, collagen type III peptide | | 著者 | Yang, X, Zhu, Y, Ye, S, Zhang, R. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-26 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | | 主引用文献 | Characterization by high-resolution crystal structure analysis of a triple-helix region of human collagen type III with potent cell adhesion activity.
Biochem. Biophys. Res. Commun., 508, 2019
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6KE3
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5JY1
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6AC1
 | | Rat Xanthine oxidoreductase, NADH bound form | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Okamoto, K, Kawaguchi, Y. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Rat Xanthine oxidoreductase, D428A variant, NAD bound form
To Be Published
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6KG2
 | | Human MTHFD2 in complex with Compound 18 | | 分子名称: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | | 著者 | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | | 登録日 | 2019-07-10 | | 公開日 | 2019-11-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
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3KJS
 | | Crystal Structure of T. cruzi DHFR-TS with 3 high affinity DHFR inhibitors: DQ1 inhibitor complex | | 分子名称: | 1,2-ETHANEDIOL, Dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Schormann, N, Senkovich, O, Chattopadhyay, D. | | 登録日 | 2009-11-03 | | 公開日 | 2010-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase.
Bioorg.Med.Chem., 18, 2010
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8K71
 | | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | | 分子名称: | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | | 登録日 | 2023-07-26 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
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8K72
 | | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | | 分子名称: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | 著者 | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | | 登録日 | 2023-07-26 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
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1KBJ
 | | Crystallographic Study of the Recombinant Flavin-binding Domain of Baker's Yeast Flavocytochrome b2: comparison with the Intact Wild-type Enzyme | | 分子名称: | 1,2-ETHANEDIOL, CYTOCHROME B2, FLAVIN MONONUCLEOTIDE | | 著者 | Cunane, L.M, Barton, J.D, Chen, Z.W, Welsh, F.E, Chapman, S.K, Reid, G.A, Mathews, F.S. | | 登録日 | 2001-11-06 | | 公開日 | 2002-04-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystallographic study of the recombinant flavin-binding domain of Baker's yeast flavocytochrome b(2): comparison with the intact wild-type enzyme.
Biochemistry, 41, 2002
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8HHU
 | | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | | 分子名称: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | | 著者 | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | 登録日 | 2022-11-17 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.258 Å) | | 主引用文献 | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
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