Author results

2JJI
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ENDOTHIAPEPSIN IN COMPLEX WITH A GEM-DIOL INHIBITOR.
分子名称:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L., Tuan, H.-F., Tomanicek, S.J., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
登録日2008-04-09
公開日2008-05-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2JJJ
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ENDOTHIAPEPSIN IN COMPLEX WITH A GEM-DIOL INHIBITOR.
分子名称:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Coates, L., Tuan, H.-F., Tomanicek, S.J., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
登録日2008-04-09
公開日2008-05-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
2VS2
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NEUTRON DIFFRACTION STRUCTURE OF ENDOTHIAPEPSIN IN COMPLEX WITH A GEM- DIOL INHIBITOR.
分子名称:ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
著者Coates, L., Tuan, H.-F., Tomanicek, S., Kovalevsky, A., Mustyakimov, M., Erskine, P., Cooper, J.
登録日2008-04-17
公開日2008-05-27
最終更新日2018-11-14
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
3BYC
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JOINT NEUTRON AND X-RAY STRUCTURE OF DIISOPROPYL FLUOROPHOSPHATASE. DEUTERIUM OCCUPANCIES ARE 1-Q, WHERE Q IS OCCUPANCY OF H
分子名称:Diisopropyl-fluorophosphatase, CALCIUM ION
著者Blum, M.-M., Mustyakimov, M., Ruterjans, H., Schoenborn, B.P., Langan, P., Chen, J.C.-H.
登録日2008-01-15
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å), NEUTRON DIFFRACTION
主引用文献Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement.
Proc.Natl.Acad.Sci.Usa, 106, 2009
3QBA
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REINTRODUCING ELECTROSTATICS INTO MACROMOLECULAR CRYSTALLOGRAPHIC REFINEMENT: Z-DNA (X-RAY)
分子名称:Z-DNA
著者Fenn, T.D., Schnieders, M.J., Mustyakimov, M., Wu, C., Langan, P., Pande, V.S., Brunger, A.T.
登録日2011-01-12
公開日2011-03-02
最終更新日2011-07-27
実験手法X-RAY DIFFRACTION (1.53 Å), NEUTRON DIFFRACTION
主引用文献Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.
Structure, 19, 2011
4XPV
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NEUTRON AND X-RAY STRUCTURE ANALYSIS OF XYLANASE: N44D AT PH6
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-18
公開日2015-09-30
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.7 Å), NEUTRON DIFFRACTION
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQ4
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X-RAY STRUCTURE ANALYSIS OF XYLANASE - N44D
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-19
公開日2015-09-23
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQD
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-WT AT PH4.0
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-19
公開日2015-09-23
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQW
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X-RAY STRUCTURE ANALYSIS OF XYLANASE-N44E WITH MES AT PH6.0
分子名称:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
著者Wan, Q., Park, J.M., Riccardi, D.M., Hanson, L.B., Fisher, Z., Smith, J.C., Ostermann, A., Schrader, T., Graham, D.E., Coates, L., Langan, P., Kovalevsky, A.Y.
登録日2015-01-20
公開日2015-09-23
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
2INQ
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NEUTRON CRYSTAL STRUCTURE OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BOUND TO THE ANTI-CANCER DRUG, METHOTREXATE
分子名称:Dihydrofolate reductase, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
著者Bennett, B.C., Langan, P.A., Coates, L., Schoenborn, B., Dealwis, C.G.
登録日2006-10-08
公開日2007-02-06
最終更新日2011-07-13
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3CWH
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D-XYLOSE ISOMERASE IN COMPLEX WITH LINEAR PRODUCT, PER-DEUTERATED XYLULOSE
分子名称:Xylose isomerase, D-XYLULOSE, MAGNESIUM ION, ...
著者Kovalevsky, A.Y., Langan, P., Glusker, J.P.
登録日2008-04-21
公開日2008-08-05
最終更新日2011-07-13
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献Hydrogen location in stages of an enzyme-catalyzed reaction: time-of-flight neutron structure of D-xylose isomerase with bound D-xylulose
Biochemistry, 47, 2008
3KBJ
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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2011-08-31
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
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:Xylose isomerase, CADMIUM ION, ALPHA-D-GLUCOSE
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2012-03-07
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
3KBN
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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:Xylose isomerase, NICKEL (II) ION, D-GLUCOSE IN LINEAR FORM
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2012-03-07
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
3KBS
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ROOM TEMPERATURE X-RAY STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH 2CD(2+) CO-FACTORS
分子名称:Xylose isomerase, CADMIUM ION
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2012-03-07
実験手法X-RAY DIFFRACTION (1.8 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
3KBV
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ROOM TEMPERATURE STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH 2NI(2+) CO-FACTORS
分子名称:Xylose isomerase, NICKEL (II) ION
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2012-03-07
実験手法X-RAY DIFFRACTION (1.8 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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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:Xylose isomerase, NICKEL (II) ION, MAGNESIUM ION
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2012-03-07
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
3KCJ
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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2017-11-01
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
3KCL
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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:Xylose isomerase, CADMIUM ION, ALPHA-D-GLUCOSE
著者Kovalevsky, A.Y., Langan, P.
登録日2009-10-21
公開日2010-06-16
最終更新日2017-11-01
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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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:Xylose isomerase, NICKEL (II) ION, D-GLUCOSE IN LINEAR FORM
著者Kovalevsky, A.Y., Langan, P.
登録日2009-10-21
公開日2010-06-16
最終更新日2018-06-20
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
3KKX
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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2018-06-20
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
3KMF
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ROOM TEMPERATURE TIME-OF-FLIGHT NEUTRON DIFFRACTION STUDY OF DEOXY HUMAN NORMAL ADULT HEMOGLOBIN
分子名称:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Kovalevsky, A.Y., Morimoto, Y., Chatake, T.
登録日2009-11-10
公開日2010-04-21
最終更新日2018-06-13
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献Direct Determination of Protonation States of Histidine Residues in a 2 A Neutron Structure of Deoxy-Human Normal Adult Hemoglobin and Implications for the Bohr Effect.
J.Mol.Biol., 398, 2010
3QYS
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ROOM TEMPERATURE X-RAY STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH 0.6NI2+ CATION BOUND IN M2 METAL BINDING SITE AT PH=5.8
分子名称:Xylose isomerase, NICKEL (II) ION
著者Kovalevsky, A.Y., Hanson, L., Langan, P.
登録日2011-03-03
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.85 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
3QZA
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JOINT NEUTRON AND X-RAY STRUCTURE OF APO-D-XYLOSE ISOMERASE AT PH=5.9
分子名称:Xylose isomerase, deuterium(1+)
著者Kovalevsky, A.Y., Hanson, L., Langan, P.
登録日2011-03-04
公開日2011-08-17
最終更新日2019-03-13
実験手法NEUTRON DIFFRACTION (2 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
3TMJ
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JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT PH 7.8
分子名称:Carbonic anhydrase 2, ZINC ION
著者Fisher, Z.
登録日2011-08-31
公開日2011-11-09
最終更新日2018-06-13
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献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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