2XCN
 
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | 分子名称: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | 登録日 | 2010-04-23 | | 公開日 | 2010-06-02 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | 分子名称: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | 登録日 | 2010-04-22 | | 公開日 | 2010-06-02 | | 最終更新日 | 2019-02-06 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | 分子名称: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | 登録日 | 2010-08-02 | | 公開日 | 2011-08-17 | | 最終更新日 | 2012-09-26 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
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8IWK
 | | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state | | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | | 著者 | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | | 登録日 | 2023-03-30 | | 公開日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state
To Be Published
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8IWN
 | | ABCG25 EQ mutant in ATP-bound state | | 分子名称: | ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | | 登録日 | 2023-03-30 | | 公開日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | ABCG25 EQ mutant in ATP-bound state
To Be Published
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8IWJ
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7DAL
 | | The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from Oryza Sativa | | 分子名称: | ACETYL COENZYME *A, SEROTONIN, Serotonin N-acetyltransferase 1, ... | | 著者 | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | 登録日 | 2020-10-16 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAK
 | | The crystal structure of a serotonin N-acetyltransferase in complex with 5-Methoxytryptamine and acetyl-CoA from Oryza Sativa | | 分子名称: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, ... | | 著者 | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | 登録日 | 2020-10-16 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAJ
 | | The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa | | 分子名称: | ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, chloroplastic | | 著者 | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | 登録日 | 2020-10-16 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7DAI
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa | | 分子名称: | Serotonin N-acetyltransferase 1, chloroplastic | | 著者 | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | | 登録日 | 2020-10-16 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6K5M
 | | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice) | | 分子名称: | Serotonin N-acetyltransferase 1, chloroplastic | | 著者 | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | 登録日 | 2019-05-29 | | 公開日 | 2020-06-03 | | 最終更新日 | 2021-09-22 | | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | | 主引用文献 | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1YQJ
 | | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | | 分子名称: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | | 著者 | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | | 登録日 | 2005-02-01 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
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6KHO
 | | Crystal structure of Oryza sativa TDC with PLP | | 分子名称: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | 登録日 | 2019-07-16 | | 公開日 | 2020-07-15 | | 実験手法 | X-RAY DIFFRACTION (1.972 Å) | | 主引用文献 | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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6KHN
 | | Crystal structure of Oryza sativa TDC with PLP and SEROTONIN | | 分子名称: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | 登録日 | 2019-07-16 | | 公開日 | 2020-07-15 | | 実験手法 | X-RAY DIFFRACTION (2.293 Å) | | 主引用文献 | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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6KHP
 | | Crystal structure of Oryza sativa TDC with PLP and tryptamine | | 分子名称: | 2-(1H-INDOL-3-YL)ETHANAMINE, ACETATE ION, CALCIUM ION, ... | | 著者 | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | | 登録日 | 2019-07-16 | | 公開日 | 2020-07-15 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
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6KX2
 | | Crystal structure of GDP bound RhoA protein | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2019-09-09 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | | 主引用文献 | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
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6KX3
 | | Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2019-09-09 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
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5Z5T
 | | The first bromodomain of BRD4 with compound BDF-2141 | | 分子名称: | 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4 | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2018-01-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.991 Å) | | 主引用文献 | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
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5Z5V
 | | The first bromodomain of BRD4 with compound BDF-1253 | | 分子名称: | Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2018-01-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
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5Z5U
 | | The first bromodomain of BRD4 with compound BDF-2254 | | 分子名称: | 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4 | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2018-01-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | | 主引用文献 | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
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