3Q3L
 
 | | The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens | | 分子名称: | CALCIUM ION, Tt-IPPase | | 著者 | Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | | 登録日 | 2010-12-22 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | NEUTRON DIFFRACTION (2.5 Å) | | 主引用文献 | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
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3Q4W
 | | The structure of archaeal inorganic pyrophosphatase in complex with substrate | | 分子名称: | BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ... | | 著者 | Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D. | | 登録日 | 2010-12-24 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.441 Å) | | 主引用文献 | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
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4FL8
 | | HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate | | 分子名称: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | | 著者 | Tie, Y.F, Shen, C.H, Weber, I.T. | | 登録日 | 2012-06-14 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
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4FLG
 | | HIV-1 protease mutant I47V complexed with reaction intermediate | | 分子名称: | CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... | | 著者 | Yu, X, Shen, C.H, Weber, I.T. | | 登録日 | 2012-06-14 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
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4FM6
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4G0C
 | | Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION | | 著者 | Fisher, S.Z, McKenna, R, Aggarwal, M. | | 登録日 | 2012-07-09 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | NEUTRON DIFFRACTION (2 Å) | | 主引用文献 | Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding.
J.Am.Chem.Soc., 134, 2012
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3TMJ
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8EYS
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5CCD
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5CCE
 | | Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine | | 分子名称: | 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ... | | 著者 | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | 登録日 | 2015-07-02 | | 公開日 | 2016-11-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8DCH
 | | Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | | 登録日 | 2022-06-16 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics.
J.Mol.Graph.Model., 117, 2022
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8DCI
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5TOQ
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5TON
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5TOR
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5TOT
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3I7E
 | | Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, HIV-1 protease | | 著者 | Hong, L, Tang, J, Ghosh, A. | | 登録日 | 2009-07-08 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
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3KKX
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3NU6
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3NU5
 | | Crystal Structure of HIV-1 Protease Mutant I50V with Antiviral Drug Amprenavir | | 分子名称: | ACETATE ION, CHLORIDE ION, SODIUM ION, ... | | 著者 | Wang, Y.-F, Shen, C.H, Weber, I.T. | | 登録日 | 2010-07-06 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
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7TUR
 | | Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | | 著者 | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | | 登録日 | 2022-02-03 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | 主引用文献 | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction.
Chem Sci, 13, 2022
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3DJK
 | | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A | | 分子名称: | (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | | 著者 | Wang, Y.F, Weber, I.T. | | 登録日 | 2008-06-23 | | 公開日 | 2008-09-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies
J.Med.Chem., 51, 2008
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4O22
 | | Binary complex of metal-free PKAc with SP20. | | 分子名称: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | | 登録日 | 2013-12-16 | | 公開日 | 2014-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
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4O21
 | | Product complex of metal-free PKAc, ATP-gamma-S and SP20. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S. | | 登録日 | 2013-12-16 | | 公開日 | 2014-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
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3DK1
 | | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A | | 分子名称: | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | | 著者 | Wang, Y.F, Weber, I.T. | | 登録日 | 2008-06-24 | | 公開日 | 2009-05-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies
Org.Biomol.Chem., 6, 2008
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