5HFM
 
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3X2I
 | | X-ray structure of PcCel45A N92D apo form at 298K. | | 分子名称: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein | | 著者 | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | | 登録日 | 2014-12-22 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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8A8Y
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3X2J
 | | X-ray structure of PcCel45A D114N apo form at 95K. | | 分子名称: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein | | 著者 | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | | 登録日 | 2014-12-22 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.301 Å) | | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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3KTX
 | | Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK)in complex with 1,3,6,8-pyrenetetrasulfonic acid | | 分子名称: | GLYCEROL, Pyruvate kinase, pyrene-1,3,6,8-tetrasulfonic acid | | 著者 | Morgan, H.P, Walkinshaw, M.D. | | 登録日 | 2009-11-26 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase.
Acta Crystallogr.,Sect.F, 66, 2010
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6QC6
 | | Ovine respiratory complex I FRC open class 1 | | 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 | 2018-12-27 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
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6TN3
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6TT0
 | | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | | 分子名称: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | | 登録日 | 2019-12-22 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.80003023 Å) | | 主引用文献 | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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6AFR
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | | 分子名称: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | | 著者 | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | | 登録日 | 2018-08-08 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | | 主引用文献 | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
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1KNI
 | | Stabilizing Disulfide Bridge Mutant of T4 Lysozyme | | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | | 著者 | Jacobson, R.H, Matsumura, M, Faber, H.R, Matthews, B.W. | | 登録日 | 2001-12-18 | | 公開日 | 2001-12-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of a stabilizing disulfide bridge mutant that closes the active-site cleft of T4 lysozyme.
Protein Sci., 1, 1992
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8K1G
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8K1H
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6H1S
 | | Structure of the BM3 heme domain in complex with fluconazole | | 分子名称: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | 著者 | Jeffreys, L.N, Munro, A.W.M, Leys, D. | | 登録日 | 2018-07-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
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6B5H
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5KQG
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6HIG
 | | hPD-1/NBO1a Fab complex | | 分子名称: | Heavy Chain, Light Chain, Programmed cell death protein 1 | | 著者 | Loredo-Varela, J.L, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | 登録日 | 2018-08-29 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Tumor suppression of novel anti-PD-1 antibodies mediated through CD28 costimulatory pathway.
J.Exp.Med., 216, 2019
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6U41
 | | 1.7 angstrom structure of a pathogenic human Syt 1 C2B (D304G) | | 分子名称: | SULFATE ION, Synaptotagmin-1 | | 著者 | Dominguez, M.J, Bradberry, M.M, Chapman, E.R, Sutton, R.B. | | 登録日 | 2019-08-22 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder.
Neuron, 107, 2020
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6B5I
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6U4U
 | | 1.3 A structure of a pathogenic human Syt 1 C2B (I368T) | | 分子名称: | SULFATE ION, Synaptotagmin-1 | | 著者 | Dominguez, M.J, Bradberry, M.M, Chapman, E.R, Sutton, R.B. | | 登録日 | 2019-08-26 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder.
Neuron, 107, 2020
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9GY6
 | | Mycobacterial cytochrome bc1:aa3 with inhibitor | | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | | 著者 | lamers, M.H, Verma, A.K. | | 登録日 | 2024-10-01 | | 公開日 | 2025-04-09 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural and mechanistic study of a novel inhibitor analogue of M. tuberculosis cytochrome bc 1 :aa 3 .
NPJ Drug Discov, 2, 2025
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8OZ4
 | | Populus tremula stable protein 1 with an alternate crystal lattice | | 分子名称: | Stable protein 1 | | 著者 | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | | 登録日 | 2023-05-08 | | 公開日 | 2024-03-27 | | 最終更新日 | 2025-04-23 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties.
Small Sci, 4, 2024
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4YU2
 | | Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor | | 分子名称: | (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | 著者 | Chaikuad, A, Wurzlbauer, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-18 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Molecules, 25, 2020
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6T0H
 | | Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | | 分子名称: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6I6R
 | | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | | 分子名称: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | | 著者 | Gloster, T.M, McMahon, S.A, Oehler, V. | | 登録日 | 2018-11-15 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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6E4L
 | | The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ... | | 著者 | Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E. | | 登録日 | 2018-07-17 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Nat.Chem.Biol., 15, 2019
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