6AY2
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![BU of 6ay2 by Molmil](/molmil-images/mine/6ay2) | Structure of CathB with covalently linked Compound 28 | 分子名称: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | 著者 | Kiefer, J.R, Steinbacher, S. | 登録日 | 2017-09-07 | 公開日 | 2017-12-27 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity. J. Med. Chem., 61, 2018
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7UOQ
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![BU of 7uoq by Molmil](/molmil-images/mine/7uoq) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | 分子名称: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | 著者 | Lewis, H.A, Muckelbauer, J.K. | 登録日 | 2022-04-13 | 公開日 | 2022-07-06 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8867 Å) | 主引用文献 | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. Acs Med.Chem.Lett., 13, 2022
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6CPW
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![BU of 6cpw by Molmil](/molmil-images/mine/6cpw) | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | 分子名称: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Hruza, A, Hruza, A. | 登録日 | 2018-03-14 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
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6US2
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![BU of 6us2 by Molmil](/molmil-images/mine/6us2) | MTH1 in complex with compound 5 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | 著者 | Newby, Z.E.R, Lansdon, E.B. | 登録日 | 2019-10-24 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.80012655 Å) | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6US3
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![BU of 6us3 by Molmil](/molmil-images/mine/6us3) | MTH1 in complex with compound 4 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | 著者 | Newby, Z.E.R, Lansdon, E.B. | 登録日 | 2019-10-24 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.47028923 Å) | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6US4
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![BU of 6us4 by Molmil](/molmil-images/mine/6us4) | MTH1 in complex with compound 32 | 分子名称: | 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | 著者 | Newby, Z.E.R, Lansdon, E.B. | 登録日 | 2019-10-24 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95032907 Å) | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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4HJX
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![BU of 4hjx by Molmil](/molmil-images/mine/4hjx) | Crystal structure of F2YRS complexed with F2Y | 分子名称: | 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase | 著者 | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | 登録日 | 2012-10-14 | 公開日 | 2013-03-13 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | A genetically encoded 19F NMR probe for tyrosine phosphorylation. Angew.Chem.Int.Ed.Engl., 52, 2013
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5GOB
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![BU of 5gob by Molmil](/molmil-images/mine/5gob) | Lys6-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.153 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5FNV
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![BU of 5fnv by Molmil](/molmil-images/mine/5fnv) | a new complex structure of tubulin with an alpha-beta unsaturated lactone | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wang, Y, Naismith, J, Zhu, X. | 登録日 | 2015-11-16 | 公開日 | 2016-05-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule. Nat.Commun., 7, 2016
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5GOH
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![BU of 5goh by Molmil](/molmil-images/mine/5goh) | Lys33-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.946 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GO8
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![BU of 5go8 by Molmil](/molmil-images/mine/5go8) | Linear tetra-ubiquitin | 分子名称: | D-ubiquitin, ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GOD
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![BU of 5god by Molmil](/molmil-images/mine/5god) | Lys27-linked di-ubiquitin | 分子名称: | D-ubiquitin, MAGNESIUM ION, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GOJ
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![BU of 5goj by Molmil](/molmil-images/mine/5goj) | Lys63-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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7YC2
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![BU of 7yc2 by Molmil](/molmil-images/mine/7yc2) | |
5GO7
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![BU of 5go7 by Molmil](/molmil-images/mine/5go7) | Linear tri-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GOC
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![BU of 5goc by Molmil](/molmil-images/mine/5goc) | Lys11-linked diubiquitin | 分子名称: | D-ubiquitin, SODIUM ION, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.733 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GOI
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![BU of 5goi by Molmil](/molmil-images/mine/5goi) | Lys48-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.594 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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4EOX
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![BU of 4eox by Molmil](/molmil-images/mine/4eox) | |
5GOG
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![BU of 5gog by Molmil](/molmil-images/mine/5gog) | Lys29-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GOK
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![BU of 5gok by Molmil](/molmil-images/mine/5gok) | K11/K63-branched tri-Ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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4HJR
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![BU of 4hjr by Molmil](/molmil-images/mine/4hjr) | Crystal structure of F2YRS | 分子名称: | Tyrosine-tRNA ligase | 著者 | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | 登録日 | 2012-10-13 | 公開日 | 2013-03-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A genetically encoded 19F NMR probe for tyrosine phosphorylation. Angew.Chem.Int.Ed.Engl., 52, 2013
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4O33
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![BU of 4o33 by Molmil](/molmil-images/mine/4o33) | Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex | 分子名称: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | 著者 | Li, X.L, Finci, L.I, Wang, J.H. | 登録日 | 2013-12-18 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Terazosin activates Pgk1 and Hsp90 to promote stress resistance. Nat.Chem.Biol., 11, 2015
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3DXV
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![BU of 3dxv by Molmil](/molmil-images/mine/3dxv) | The crystal structure of alpha-amino-epsilon-caprolactam racemase from Achromobacter obae | 分子名称: | Alpha-amino-epsilon-caprolactam racemase, PYRIDOXAL-5'-PHOSPHATE | 著者 | Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T. | 登録日 | 2008-07-25 | 公開日 | 2009-02-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | The novel structure of a pyridoxal 5'-phosphate-dependent fold-type I racemase, alpha-amino-epsilon-caprolactam racemase from Achromobacter obae Biochemistry, 48, 2009
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3DXW
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![BU of 3dxw by Molmil](/molmil-images/mine/3dxw) | The crystal structure of alpha-amino-epsilon-caprolactam racemase from Achromobacter obae complexed with epsilon caprolactam | 分子名称: | Alpha-amino-epsilon-caprolactam racemase, PYRIDOXAL-5'-PHOSPHATE, azepan-2-one | 著者 | Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T. | 登録日 | 2008-07-25 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | The novel structure of a pyridoxal 5'-phosphate-dependent fold-type I racemase, alpha-amino-epsilon-caprolactam racemase from Achromobacter obae Biochemistry, 48, 2009
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4YD0
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![BU of 4yd0 by Molmil](/molmil-images/mine/4yd0) | Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor | 分子名称: | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2015-02-20 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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