5VJZ
 
 | | Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5 | | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, Aspartate aminotransferase, cytoplasmic | | 著者 | Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C. | | 登録日 | 2017-04-20 | | 公開日 | 2017-11-01 | | 最終更新日 | 2022-03-16 | | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | 主引用文献 | Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme.
Nat Commun, 8, 2017
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8EYS
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3TWH
 | | Selenium Derivatized RNA/DNA Hybrid in complex with RNase H Catalytic Domain D132N Mutant | | 分子名称: | DNA (5'-D(*AP*TP*(SDG)P*TP*CP*(SDG))-3'), MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Rob, A, Gerlits, O, Jiang, J.S, Gan, J.H, Huang, Z. | | 登録日 | 2011-09-21 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides.
Acta Crystallogr.,Sect.D, 70, 2014
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3U7T
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8DCI
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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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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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3Q46
 | | Magnesium activated Inorganic pyrophosphatase from Thermococcus thioreducens bound to hydrolyzed product at 0.99 Angstrom resolution | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D. | | 登録日 | 2010-12-23 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (0.99 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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5TOQ
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4Y0J
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5TON
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5TOT
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5TOR
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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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4PDJ
 | | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | | 分子名称: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | | 著者 | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | | 登録日 | 2014-04-18 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | | 主引用文献 | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5VG1
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5VG0
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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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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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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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4FM6
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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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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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