6DQ1
 
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6DA7
 | | Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with apo form at 1.83 A resolution (I222) | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SODIUM ION, ... | | 著者 | Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2018-05-01 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
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4U7X
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6DV4
 | | HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2018-06-22 | | 公開日 | 2018-10-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands.
Eur J Med Chem, 160, 2018
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6DJ1
 | | Wild-type HIV-1 protease in complex with Lopinavir | | 分子名称: | CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | 著者 | Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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6KFT
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6KL8
 | | Crystal structure of Piptidyl t-RNA hydrolase from Acinetobacter baumannii with bound NaCl at the substrate binding site | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-tRNA hydrolase, ... | | 著者 | Viswanathan, V, Sharma, P, Singh, P.K, Sharma, S, Singh, T.P. | | 登録日 | 2019-07-29 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Crystal structure of Piptidyl t-RNA hydrolase from Acinetobacter baumannii with bound NaCl at the substrate binding site
To Be Published
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6DJ7
 | | HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand) | | 分子名称: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | 著者 | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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6D9B
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6K86
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6D56
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6KD1
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6DIF
 | | Wild-type HIV-1 protease in complex with tipranavir | | 分子名称: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | | 著者 | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | | 登録日 | 2018-05-23 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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6DIL
 | | HIV-1 protease with single mutation L76V in complex with tipranavir | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | | 登録日 | 2018-05-23 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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6DJ2
 | | HIV-1 protease with single mutation L76V in complex with Lopinavir | | 分子名称: | CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | 著者 | Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. | | 登録日 | 2018-05-24 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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2G64
 | | Structure of Caenorhabditis elegans 6-pyruvoyl tetrahydropterin synthase | | 分子名称: | GLYCEROL, Putative 6-pyruvoyl tetrahydrobiopterin synthase, SODIUM ION, ... | | 著者 | Wengerter, B.C, Patskovsky, Y, Zhan, C, Ramagopal, U, Milstein, S, Vidal, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2006-02-24 | | 公開日 | 2006-03-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Caenorhabditis Elegans 6-Pyruvoyl Tetrahydropterin Synthase
To be Published
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6D4O
 | | Eubacterium eligens beta-glucuronidase bound to an amoxapine-glucuronide conjugate | | 分子名称: | (5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine, Beta-glucuronidase, CHLORIDE ION, ... | | 著者 | Pellock, S.J, Walton, W.G, Redinbo, M.R. | | 登録日 | 2018-04-18 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception.
ACS Cent Sci, 4, 2018
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6D5J
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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2GFG
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2G1U
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6D59
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Hodges, T, Fesik, S.W. | | 登録日 | 2018-04-19 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6KOK
 | | Crystal Structure of SNX11/SNX10-PXe Chimera | | 分子名称: | CHLORIDE ION, SODIUM ION, Sorting nexin-11,Uncharacterized protein SNX10 | | 著者 | Xu, T, Liu, J. | | 登録日 | 2019-08-11 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular Basis for PI(3,5)P2Recognition by SNX11, a Protein Involved in Lysosomal Degradation and Endosome Homeostasis Regulation.
J.Mol.Biol., 432, 2020
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6KTW
 | | structure of EanB with hercynine | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wu, L, Liu, P.H, Zhou, J.H. | | 登録日 | 2019-08-29 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.931 Å) | | 主引用文献 | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
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6D9C
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4U9W
 | | Crystal Structure of NatD bound to H4/H2A peptide and CoA | | 分子名称: | COENZYME A, GLYCEROL, Histone H4/H2A N-terminus, ... | | 著者 | Magin, R.S, Liszczak, G.P, Marmorstein, R. | | 登録日 | 2014-08-06 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | The Molecular Basis for Histone H4- and H2A-Specific Amino-Terminal Acetylation by NatD.
Structure, 23, 2015
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