Author results

3OXC
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WILD TYPE HIV-1 PROTEASE WITH ANTIVIRAL DRUG SAQUINAVIR
Descriptor:Protease, (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, ...
Authors:Kovalevsky, A.Y., Wang, Y.-F., Tie, Y., Weber, I.T.
Deposit date:2010-09-21
Release date:2010-11-10
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir
Proteins, 67, 2007
2F80
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HIV-1 PROTEASE MUTANT D30N COMPLEXED WITH INHIBITOR TMC114
Descriptor:POL POLYPROTEIN, CHLORIDE ION, SULFATE ION, ...
Authors:Kovalevsky, A.Y., Weber, I.T.
Deposit date:2005-12-01
Release date:2006-03-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
2F81
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HIV-1 PROTEASE MUTANT L90M COMPLEXED WITH INHIBITOR TMC114
Descriptor:POL POLYPROTEIN, SODIUM ION, CHLORIDE ION, ...
Authors:Kovalevsky, A.Y., Weber, I.T.
Deposit date:2005-12-01
Release date:2006-03-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
2F8G
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HIV-1 PROTEASE MUTANT I50V COMPLEXED WITH INHIBITOR TMC114
Descriptor:POL POLYPROTEIN, SODIUM ION, CHLORIDE ION, ...
Authors:Kovalevsky, A.Y., Weber, I.T.
Deposit date:2005-12-02
Release date:2006-03-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite: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
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HIV-1 PROTEASE COMPLEXED WITH GEM-DIOL-AMINE TETRAHEDRAL INTERMEDIATE NLLTQI
Descriptor:Protease, peptide, SODIUM ION, ...
Authors:Kovalevsky, A.Y., Chumanevich, A.A., Weber, I.T.
Deposit date:2007-10-31
Release date:2007-12-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite: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
3CWH
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D-XYLOSE ISOMERASE IN COMPLEX WITH LINEAR PRODUCT, PER-DEUTERATED XYLULOSE
Descriptor:Xylose isomerase, D-XYLULOSE, MAGNESIUM ION, ...
Authors:Kovalevsky, A.Y., Langan, P., Glusker, J.P.
Deposit date:2008-04-21
Release date:2008-08-05
Last modified:2011-07-13
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite: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
3EBZ
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HIGH RESOLUTION HIV-2 PROTEASE STRUCTURE IN COMPLEX WITH CLINICAL DRUG DARUNAVIR
Descriptor:Protease, IMIDAZOLE, ZINC ION, ...
Authors:Kovalevsky, A.Y., Weber, I.T.
Deposit date:2008-08-28
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3EC0
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HIGH RESOLUTION HIV-2 PROTEASE STRUCTURE IN COMPLEX WITH ANTIVIRAL INHIBITOR GRL-06579A
Descriptor:Protease, (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, IMIDAZOLE, ...
Authors:Kovalevsky, A.Y., Weber, I.T.
Deposit date:2008-08-28
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3ECG
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HIGH RESOLUTION HIV-2 PROTEASE STRUCTURE IN COMPLEX WITH ANTIVIRAL INHIBITOR GRL-98065
Descriptor:Protease, (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, IMIDAZOLE, ...
Authors:Kovalevsky, A.Y., Weber, I.T.
Deposit date:2008-08-29
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3KBJ
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ROOM TEMPERATURE X-RAY STRUCTURE OF APO-D-XYLOSE ISOMERASE
Descriptor:Xylose isomerase
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2009-10-20
Release date:2010-09-29
Last modified:2011-08-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Xylose isomerase, CADMIUM ION, ALPHA-D-GLUCOSE
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Xylose isomerase, NICKEL (II) ION, D-GLUCOSE IN LINEAR FORM
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor:Xylose isomerase, CADMIUM ION
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor:Xylose isomerase, NICKEL (II) ION
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor:Xylose isomerase, NICKEL (II) ION, MAGNESIUM ION
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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)
Descriptor:Xylose isomerase
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2009-10-21
Release date:2010-09-29
Last modified:2017-11-01
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite: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)
Descriptor:Xylose isomerase, CADMIUM ION, ALPHA-D-GLUCOSE
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2017-11-01
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite: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)
Descriptor:Xylose isomerase, NICKEL (II) ION, D-GLUCOSE IN LINEAR FORM
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2018-06-20
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite: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
3KMF
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ROOM TEMPERATURE TIME-OF-FLIGHT NEUTRON DIFFRACTION STUDY OF DEOXY HUMAN NORMAL ADULT HEMOGLOBIN
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kovalevsky, A.Y., Morimoto, Y., Chatake, T.
Deposit date:2009-11-10
Release date:2010-04-21
Last modified:2018-06-13
Method:NEUTRON DIFFRACTION (2 Å)
Cite: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
Descriptor:Xylose isomerase, NICKEL (II) ION
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2011-03-03
Release date:2011-08-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor:Xylose isomerase, deuterium(1+)
Authors:Kovalevsky, A.Y., Hanson, L., Langan, P.
Deposit date:2011-03-04
Release date:2011-08-17
Last modified:2019-03-13
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite: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
4DH1
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LOW TEMPERATURE X-RAY STRUCTURE OF CAMP DEPENDENT PROTEIN KINASE A CATALYTIC SUBUNIT WITH LOW MG2+, ATP AND IP20
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM ION, ...
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
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LOW TEMPERATURE X-RAY STRUCTURE OF CAMP DEPENDENT PROTEIN KINASE A CATALYTIC SUBUNIT WITH HIGH MG2+, ATP AND IP20
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM ION, ...
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
4DH5
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ROOM TEMPERATURE X-RAY STRUCTURE OF CAMP DEPENDENT PROTEIN KINASE A CATALYTIC SUBUNIT WITH HIGH MG2+, ADP, PHOSPHATE, AND IP20
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM ION, ...
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
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LOW TEMPERATURE X-RAY STRUCTURE OF CAMP DEPENDENT PROTEIN KINASE A CATALYTIC SUBUNIT WITH HIGH MG2+, AMP-PNP AND IP20'
Descriptor:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM ION, ...
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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