6CED
| Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | 分子名称: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-11 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CE8
| Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | 分子名称: | (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-11 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEC
| Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-11 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEF
| Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | 分子名称: | 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-11 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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7T3H
| MicroED structure of Dynobactin | 分子名称: | TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE | 著者 | Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S. | 登録日 | 2021-12-07 | 公開日 | 2022-10-19 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | 主引用文献 | Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
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7UGW
| M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin | 分子名称: | DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Hauk, G, Imai, Y, Lewis, K, Berger, J.M. | 登録日 | 2022-03-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis. Nat.Chem.Biol., 18, 2022
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6CE6
| Structure of HDAC6 zinc-finger ubiquitin binding domain soaked with 3,3'-(benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diyl)dipropionic acid | 分子名称: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-11 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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4KLB
| Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 | 分子名称: | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain | 著者 | Fernandes, W.B, Montanari, C.A, Mckerrow, J.H. | 登録日 | 2013-05-07 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay. Plos Negl Trop Dis, 7, 2013
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4KL7
| Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis | 分子名称: | Resuscitation-promoting factor RpfB, SULFATE ION | 著者 | Squeglia, F, Romano, M, Ruggiero, A, Berisio, R. | 登録日 | 2013-05-07 | 公開日 | 2013-06-26 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses. Biophys.J., 104, 2013
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4KPM
| Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis in complex with triNAG | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Resuscitation-promoting factor RpfB, ... | 著者 | Squeglia, F, Ruggiero, A, Berisio, R. | 登録日 | 2013-05-14 | 公開日 | 2013-06-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses. Biophys.J., 104, 2013
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4P0T
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7X1G
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7X1J
| Cryo-EM structure of human BTR1 in the outward-facing state in the presence of NH4Cl. | 分子名称: | Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | 著者 | Yin, Y, Lu, Y, Zuo, P. | 登録日 | 2022-02-24 | 公開日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | 主引用文献 | Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2. Nat Commun, 14, 2023
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7X1H
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7X1I
| Cryo-EM structure of human BTR1 in the outward-facing state. | 分子名称: | Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | 著者 | Yin, Y, Lu, Y, Zuo, P. | 登録日 | 2022-02-24 | 公開日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2. Nat Commun, 14, 2023
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4MQ1
| The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4MQ2
| The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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