4QE5
 
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4QE4
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4QEE
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4QEH
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4QDP
 | | Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose | | Descriptor: | CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2014-05-14 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
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4QE1
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3KKX
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3U7T
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3TWH
 | | Selenium Derivatized RNA/DNA Hybrid in complex with RNase H Catalytic Domain D132N Mutant | | Descriptor: | DNA (5'-D(*AP*TP*(SDG)P*TP*CP*(SDG))-3'), MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Rob, A, Gerlits, O, Jiang, J.S, Gan, J.H, Huang, Z. | | Deposit date: | 2011-09-21 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides.
Acta Crystallogr.,Sect.D, 70, 2014
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4FL8
 | | HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate | | Descriptor: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | | Authors: | Tie, Y.F, Shen, C.H, Weber, I.T. | | Deposit date: | 2012-06-14 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 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 | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Yu, X, Shen, C.H, Weber, I.T. | | Deposit date: | 2012-06-14 | | Release date: | 2012-10-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
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5JPC
 | | Joint X-ray/neutron structure of MTAN complex with Formycin A | | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Aminodeoxyfutalosine nucleosidase | | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | Cite: | 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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8EYS
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5K1Z
 | | Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | Deposit date: | 2016-05-18 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION | | Cite: | 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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3X2W
 | | Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | | Deposit date: | 2015-01-02 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
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3X2V
 | | Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | | Deposit date: | 2015-01-02 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
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3X2U
 | | Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ... | | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | | Deposit date: | 2015-01-02 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
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4Y0J
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3D20
 | | Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... | | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | | Deposit date: | 2008-05-07 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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3D1Z
 | | Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | | Deposit date: | 2008-05-07 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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3Q3L
 | | The neutron crystallographic structure of inorganic pyrophosphatase from Thermococcus thioreducens | | Descriptor: | CALCIUM ION, Tt-IPPase | | Authors: | Hughes, R.C, Coates, L, Blakeley, M.P, Tomanicek, S.J, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | | Deposit date: | 2010-12-22 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (2.5 Å) | | Cite: | 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 | | Descriptor: | BROMIDE ION, CALCIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Hughes, R.C, Meehan, E.J, Coates, L, Ng, J.D. | | Deposit date: | 2010-12-24 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.441 Å) | | Cite: | 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 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D. | | Deposit date: | 2010-12-23 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.
Acta Crystallogr.,Sect.F, 68, 2012
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3TMJ
 | | Joint X-ray/neutron structure of human carbonic anhydrase II at pH 7.8 | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Fisher, Z. | | Deposit date: | 2011-08-31 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Neutron Structure of Human Carbonic Anhydrase II: A Hydrogen-Bonded Water Network "Switch" Is Observed between pH 7.8 and 10.0.
Biochemistry, 50, 2011
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5TOQ
 | | High resolution crystal structure of AAT | | Descriptor: | Aspartate aminotransferase, cytoplasmic | | Authors: | Mueser, T.C, Dajnowicz, S, Kovalevsky, A. | | Deposit date: | 2016-10-18 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
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