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HIV-1 protease mutant I50V complexed with inhibitor TMC114
分子名称:	(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, ...
著者	Kovalevsky, A.Y, Weber, I.T.
登録日	2005-12-02
公開日	2006-03-07
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.22 Å)
主引用文献	Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006

2F80

HIV-1 Protease mutant D30N complexed with inhibitor TMC114
分子名称:	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, POL POLYPROTEIN, ...
著者	Kovalevsky, A.Y, Weber, I.T.
登録日	2005-12-01
公開日	2006-03-07
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006

3B7V

HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI
分子名称:	CHLORIDE ION, GLYCEROL, Protease, ...
著者	Kovalevsky, A.Y, Chumanevich, A.A, Weber, I.T.
登録日	2007-10-31
公開日	2007-12-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (1.46 Å)
主引用文献	Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate. Biochemistry, 46, 2007

3OXC

Wild Type HIV-1 Protease with Antiviral Drug Saquinavir
分子名称:	(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, FORMIC ACID, Protease, ...
著者	Kovalevsky, A.Y, Wang, Y.-F, Tie, Y, Weber, I.T.
登録日	2010-09-21
公開日	2010-11-10
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.16 Å)
主引用文献	Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir Proteins, 67, 2007

3KMF

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	2023-11-01
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

4DH5

Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20
分子名称:	ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者	Kovalevsky, A.Y, Langan, P.
登録日	2012-01-27
公開日	2012-06-27
最終更新日	2013-01-23
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012

4DH3

Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ATP and IP20
分子名称:	ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者	Kovalevsky, A.Y, Langan, P.
登録日	2012-01-27
公開日	2012-06-27
最終更新日	2013-03-13
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012

4DH7

Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20'
分子名称:	MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者	Kovalevsky, A.Y, Langan, P.
登録日	2012-01-27
公開日	2012-06-27
最終更新日	2013-03-13
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012

2F81

HIV-1 Protease mutant L90M complexed with inhibitor TMC114
分子名称:	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ...
著者	Kovalevsky, A.Y, Weber, I.T.
登録日	2005-12-01
公開日	2006-03-07
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006

3KBS

Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
分子名称:	CADMIUM 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 (1.8 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

3KBM

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

3KBV

Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
分子名称:	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 (1.8 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

3KCJ

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

3KBW

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

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

3KBJ

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

3KCO

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

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

3QYS

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:	NICKEL (II) ION, Xylose isomerase
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2011-03-03
公開日	2011-08-17
最終更新日	2024-02-21
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

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	2023-09-13
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

3EBZ

High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir
分子名称:	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者	Kovalevsky, A.Y, Weber, I.T.
登録日	2008-08-28
公開日	2008-09-16
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (1.2 Å)
主引用文献	Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008

3ECG

High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-98065
分子名称:	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者	Kovalevsky, A.Y, Weber, I.T.
登録日	2008-08-29
公開日	2008-09-16
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (1.18 Å)
主引用文献	Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008

3CWH

D-xylose Isomerase in complex with linear product, per-deuterated xylulose
分子名称:	D-XYLULOSE, HYDROXIDE ION, 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	2023-08-30
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

3EC0

High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-06579A
分子名称:	(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者	Kovalevsky, A.Y, Weber, I.T.
登録日	2008-08-28
公開日	2008-09-16
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (1.18 Å)
主引用文献	Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008

4DH1

Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with low Mg2+, ATP and IP20
分子名称:	ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者	Kovalevsky, A.Y, Langan, P.
登録日	2012-01-27
公開日	2012-06-27
最終更新日	2013-03-13
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012

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