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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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
 | | 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
 | | 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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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