5COB
 
 | | Crystal structure of iridoid synthase in complex with NADP+ and 8-oxogeranial at 2.65-angstrom resolution | | 分子名称: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Qin, L, Zhu, Y, Ding, Z, Zhang, X, Ye, S, Zhang, R. | | 登録日 | 2015-07-20 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure of iridoid synthase in complex with NADP(+)/8-oxogeranial reveals the structural basis of its substrate specificity.
J.Struct.Biol., 194, 2016
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6F9V
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7KGU
 | | Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02 | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Miller, M.S, Aytenfisu, T.Y, Wright, K.M, Gabelli, S.B. | | 登録日 | 2020-10-18 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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3JZD
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5O0C
 | | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(3-methyl-1H-indol-1-yl)propanoic acid (Fragment 3) | | 分子名称: | 3-(3-methylindol-1-yl)propanoic acid, Phosphopantetheine adenylyltransferase | | 著者 | Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. | | 登録日 | 2017-05-16 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.642 Å) | | 主引用文献 | Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
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6EZT
 | | Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase D437A inactive mutant from Vibrio harveyi | | 分子名称: | Beta-N-acetylglucosaminidase Nag2, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | | 著者 | Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W. | | 登録日 | 2017-11-16 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
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2JXN
 | | Solution Structure of S. cerevisiae PDCD5-like Protein Ymr074cp | | 分子名称: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Uncharacterized protein YMR074C | | 著者 | Hong, J, Zhang, J, Liu, Z, Shi, Y, Wu, J. | | 登録日 | 2007-11-23 | | 公開日 | 2008-12-02 | | 最終更新日 | 2021-10-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure and Dynamics of S. cerevisiae PDCD5-like Protein Ymr074cp Determined by Heteronuclear NMR Spectroscopy
To be Published
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6L72
 | | Sirtuin 2 demyristoylation native final product | | 分子名称: | NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate | | 著者 | Chen, L.F. | | 登録日 | 2019-10-30 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
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5CGM
 | | Structure of Mycobacterium thermoresistibile GlgE in complex with maltose at 1.95A resolution | | 分子名称: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, CHLORIDE ION, ... | | 著者 | Mendes, V, Blaszczyk, M, Maranha, A, Empadinhas, N, Blundell, T.L. | | 登録日 | 2015-07-09 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism.
Sci Rep, 5, 2015
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7ZXA
 | | Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-05-20 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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3K0H
 | | The crystal structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with an amidated C-terminus | | 分子名称: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | | 著者 | Campbell, S.J, Edwards, R.A, Glover, J.N. | | 登録日 | 2009-09-24 | | 公開日 | 2010-03-02 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
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5CBW
 | | Human Cyclophilin D Complexed with Inhibitor. | | 分子名称: | FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | | 著者 | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | 登録日 | 2015-07-01 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Human Cyclophilin D Complexed with Inhibitor.
To Be Published
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3K15
 | | Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with an amidated C-terminus | | 分子名称: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | | 著者 | Campbell, S.J, Edwards, R.A, Glover, J.N. | | 登録日 | 2009-09-25 | | 公開日 | 2010-03-02 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
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5G3O
 | | Bacillus cereus formamidase (BceAmiF) inhibited with urea. | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, FORMAMIDASE, ... | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Conejero-Muriel, M. | | 登録日 | 2016-04-29 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
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5CA9
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7ZIE
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7KXW
 | | Crystal structure of DCLK1-KD in complex with DCLK1-IN-1 | | 分子名称: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase DCLK1, ... | | 著者 | Patel, O, Lucet, I. | | 登録日 | 2020-12-05 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | | 主引用文献 | Structural basis for small molecule targeting of Doublecortin Like Kinase 1 with DCLK1-IN-1.
Commun Biol, 4, 2021
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5CEX
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8A2G
 | | Crystal structure of Sebokelevirus 2A2 protein | | 分子名称: | 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL | | 著者 | Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I. | | 登録日 | 2022-06-03 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural plasticity of 2A proteins in the Parechovirus family
to be published
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6LXT
 | | Structure of post fusion core of 2019-nCoV S2 subunit | | 分子名称: | Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION | | 著者 | Zhu, Y, Sun, F. | | 登録日 | 2020-02-11 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion.
Cell Res., 30, 2020
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8A4W
 | | Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-06-13 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8A4X
 | | Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III | | 分子名称: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-06-13 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8A4U
 | | Crystal structure of human cathepsin L with CAA0225 | | 分子名称: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-06-13 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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6FHV
 | | Crystal structure of Penicillium oxalicum Glucoamylase | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 | Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S. | | 登録日 | 2018-01-15 | | 公開日 | 2018-05-09 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains.
Acta Crystallogr D Struct Biol, 74, 2018
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3NVD
 | | Structure of YBBD in complex with pugnac | | 分子名称: | ACETATE ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, SODIUM ION, ... | | 著者 | Diederichs, K. | | 登録日 | 2010-07-08 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Structural and kinetic analysis of Bacillus subtilis N-acetylglucosaminidase reveals a unique Asp-His dyad mechanism
J.Biol.Chem., 285, 2010
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