Author results

3OXC
  • Download 3oxc
  • View 3oxc
Molmil generated image of 3oxc
WILD TYPE HIV-1 PROTEASE WITH ANTIVIRAL DRUG SAQUINAVIR
分子名称: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, ...
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2012-12-12
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
2F80
  • Download 2f80
  • View 2f80
Molmil generated image of 2f80
HIV-1 PROTEASE MUTANT D30N COMPLEXED WITH INHIBITOR TMC114
分子名称:POL POLYPROTEIN, CHLORIDE ION, SULFATE ION, ...
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2017-10-18
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
2F81
  • Download 2f81
  • View 2f81
Molmil generated image of 2f81
HIV-1 PROTEASE MUTANT L90M COMPLEXED WITH INHIBITOR TMC114
分子名称:POL POLYPROTEIN, SODIUM ION, CHLORIDE ION, ...
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2017-10-18
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
2F8G
  • Download 2f8g
  • View 2f8g
Molmil generated image of 2f8g
HIV-1 PROTEASE MUTANT I50V COMPLEXED WITH INHIBITOR TMC114
分子名称:POL POLYPROTEIN, SODIUM ION, 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2017-10-18
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
3B7V
  • Download 3b7v
  • View 3b7v
Molmil generated image of 3b7v
HIV-1 PROTEASE COMPLEXED WITH GEM-DIOL-AMINE TETRAHEDRAL INTERMEDIATE NLLTQI
分子名称:Protease, peptide, SODIUM ION, ...
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2017-10-25
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
3CWH
  • Download 3cwh
  • View 3cwh
Molmil generated image of 3cwh
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
3EBZ
  • Download 3ebz
  • View 3ebz
Molmil generated image of 3ebz
HIGH RESOLUTION HIV-2 PROTEASE STRUCTURE IN COMPLEX WITH CLINICAL DRUG DARUNAVIR
分子名称:Protease, IMIDAZOLE, ZINC ION, ...
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2011-07-13
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
3EC0
  • Download 3ec0
  • View 3ec0
Molmil generated image of 3ec0
HIGH RESOLUTION HIV-2 PROTEASE STRUCTURE IN COMPLEX WITH ANTIVIRAL INHIBITOR GRL-06579A
分子名称: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, ...
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2011-07-13
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
3ECG
  • Download 3ecg
  • View 3ecg
Molmil generated image of 3ecg
HIGH RESOLUTION HIV-2 PROTEASE STRUCTURE IN COMPLEX WITH ANTIVIRAL INHIBITOR GRL-98065
分子名称: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, ...
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2011-07-13
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
3KBJ
  • Download 3kbj
  • View 3kbj
Molmil generated image of 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
  • Download 3kbm
  • View 3kbm
Molmil generated image of 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: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
  • Download 3kbn
  • View 3kbn
Molmil generated image of 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: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
  • Download 3kbs
  • View 3kbs
Molmil generated image of 3kbs
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
  • Download 3kbv
  • View 3kbv
Molmil generated image of 3kbv
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
  • Download 3kbw
  • View 3kbw
Molmil generated image of 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: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
  • Download 3kcj
  • View 3kcj
Molmil generated image of 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
  • Download 3kcl
  • View 3kcl
Molmil generated image of 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: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
  • Download 3kco
  • View 3kco
Molmil generated image of 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: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
3KMF
  • Download 3kmf
  • View 3kmf
Molmil generated image of 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
  • Download 3qys
  • View 3qys
Molmil generated image of 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: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
  • Download 3qza
  • View 3qza
Molmil generated image of 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
4DH1
  • Download 4dh1
  • View 4dh1
Molmil generated image of 4dh1
LOW TEMPERATURE X-RAY STRUCTURE OF CAMP DEPENDENT PROTEIN KINASE A CATALYTIC SUBUNIT WITH LOW MG2+, ATP AND IP20
分子名称:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM 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2013-03-13
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
4DH3
  • Download 4dh3
  • View 4dh3
Molmil generated image of 4dh3
LOW TEMPERATURE X-RAY STRUCTURE OF CAMP DEPENDENT PROTEIN KINASE A CATALYTIC SUBUNIT WITH HIGH MG2+, ATP AND IP20
分子名称:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM 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2013-03-13
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
4DH5
  • Download 4dh5
  • View 4dh5
Molmil generated image of 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:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM 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
4DH7
  • Download 4dh7
  • View 4dh7
Molmil generated image of 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:cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, MAGNESIUM 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2013-03-13
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