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PDB: 73 件
3KBM
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Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
分子名称: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBW
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BU of 3kbw by Molmil
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
分子名称: MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KCL
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BU of 3kcl by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM)
分子名称: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
著者Kovalevsky, A.Y, Langan, P.
登録日2009-10-21
公開日2010-06-16
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KCO
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BU of 3kco by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Ni2+ cations and d12-D-glucose in the linear form (refined jointly with X-ray structure 3KBN)
分子名称: D-glucose, NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Langan, P.
登録日2009-10-21
公開日2010-06-16
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBN
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BU of 3kbn by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors and d12-D-glucose in the linear form
分子名称: D-glucose, NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
4QEE
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BU of 4qee by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribose
分子名称: NICKEL (II) ION, Xylose isomerase, alpha-L-ribofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDW
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BU of 4qdw by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Ni2+ ions and linear L-arabinose
分子名称: L-arabinose, NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-14
公開日2014-09-03
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE5
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BU of 4qe5 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribulose
分子名称: MAGNESIUM ION, Xylose isomerase, alpha-L-ribulofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE4
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Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribulose
分子名称: NICKEL (II) ION, Xylose isomerase, beta-L-ribulofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QEH
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BU of 4qeh by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribose
分子名称: MAGNESIUM ION, Xylose isomerase, beta-L-ribofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-16
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDP
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BU of 4qdp by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose
分子名称: CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-14
公開日2014-09-03
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE1
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BU of 4qe1 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Cd2+ ions and L-ribulose
分子名称: CADMIUM ION, Xylose isomerase, alpha-L-ribulofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4O21
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BU of 4o21 by Molmil
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
3KGG
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BU of 3kgg by Molmil
X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction
分子名称: CALCIUM ION, Diisopropyl-fluorophosphatase
著者Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H.
登録日2009-10-29
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
4O22
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BU of 4o22 by Molmil
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
3KCJ
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BU of 3kcj by Molmil
Room temperature neutron structure of apo-D-Xylose Isomerase (refined jointly with X-ray structure 3KBJ)
分子名称: Xylose isomerase
著者Kovalevsky, A.Y, Langan, P.
登録日2009-10-21
公開日2010-09-29
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values
Angew.Chem.Int.Ed.Engl., 50, 2011
3KBJ
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BU of 3kbj by Molmil
Room temperature X-ray structure of apo-D-Xylose Isomerase
分子名称: Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3KKX
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BU of 3kkx by Molmil
Neutron structure of human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z, Langan, P.A.
登録日2009-11-06
公開日2010-01-12
最終更新日2023-09-06
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献Neutron structure of human carbonic anhydrase II: implications for proton transfer.
Biochemistry, 49, 2010
4JEC
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BU of 4jec by Molmil
Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir
分子名称: CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Kovalevsky, A.Y, Weber, I.T, Langan, P.
登録日2013-02-26
公開日2013-07-24
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION
主引用文献Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
J.Med.Chem., 56, 2013
4PDJ
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BU of 4pdj by Molmil
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
6C7A
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BU of 6c7a by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
分子名称: Beta-lactamase Toho-1, SULFATE ION
著者Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
登録日2018-01-22
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
6C79
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Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
分子名称: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION
著者Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
登録日2018-01-22
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
4HKW
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Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ...
著者Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L.
登録日2012-10-15
公開日2014-01-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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