Author results

1PIC
  • Download 1pic
  • View 1pic
Molmil generated image of 1pic
PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, NMR, MINIMIZED MEAN STRUCTURE
Descriptor:PHOSPHATIDYLINOSITOL 3-KINASE, BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR
Authors:Breeze, A.L., Kara, B.V., Barratt, D.G., Anderson, M., Smith, J.C., Luke, R.W., Best, J.R., Cartlidge, S.A.
Deposit date:1997-06-23
Release date:1997-09-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of a specific peptide complex of the carboxy-terminal SH2 domain from the p85 alpha subunit of phosphatidylinositol 3-kinase.
EMBO J., 15, 1996
4QDP
  • Download 4qdp
  • View 4qdp
Molmil generated image of 4qdp
JOINT X-RAY AND NEUTRON STRUCTURE OF STREPTOMYCES RUBIGINOSUS D-XYLOSE ISOMERASE IN COMPLEX WITH TWO CD2+ IONS AND CYCLIC BETA-L-ARABINOSE
Descriptor:Xylose isomerase, CADMIUM ION, BETA-L-ARABINOSE
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2014-05-14
Release date:2014-09-03
Last modified:2018-06-20
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDW
  • Download 4qdw
  • View 4qdw
Molmil generated image of 4qdw
JOINT X-RAY AND NEUTRON STRUCTURE OF STREPTOMYCES RUBIGINOSUS D-XYLOSE ISOMERASE IN COMPLEX WITH TWO NI2+ IONS AND LINEAR L-ARABINOSE
Descriptor:Xylose isomerase, NICKEL (II) ION, L-arabinose
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2014-05-14
Release date:2014-09-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å), NEUTRON DIFFRACTION
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE1
  • Download 4qe1
  • View 4qe1
Molmil generated image of 4qe1
ROOM TEMPERATURE X-RAY STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH TWO CD2+ IONS AND L-RIBULOSE
Descriptor:Xylose isomerase, CADMIUM ION, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE4
  • Download 4qe4
  • View 4qe4
Molmil generated image of 4qe4
ROOM TEMPERATURE X-RAY STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH TWO NI2+ IONS AND L-RIBULOSE
Descriptor:Xylose isomerase, NICKEL (II) ION, beta-L-ribulofuranose
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE5
  • Download 4qe5
  • View 4qe5
Molmil generated image of 4qe5
ROOM TEMPERATURE X-RAY STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH TWO MG2+ IONS AND L-RIBULOSE
Descriptor:Xylose isomerase, MAGNESIUM ION, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QEE
  • Download 4qee
  • View 4qee
Molmil generated image of 4qee
ROOM TEMPERATURE X-RAY STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH TWO NI2+ IONS AND L-RIBOSE
Descriptor:Xylose isomerase, NICKEL (II) ION, alpha-L-ribofuranose
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QEH
  • Download 4qeh
  • View 4qeh
Molmil generated image of 4qeh
ROOM TEMPERATURE X-RAY STRUCTURE OF D-XYLOSE ISOMERASE IN COMPLEX WITH TWO MG2+ IONS AND L-RIBOSE
Descriptor:Xylose isomerase, MAGNESIUM ION, beta-L-ribofuranose
Authors:Kovalevsky, A.Y., Langan, P.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4XPV
  • Download 4xpv
  • View 4xpv
Molmil generated image of 4xpv
NEUTRON AND X-RAY STRUCTURE ANALYSIS OF XYLANASE: N44D AT PH6
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors: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.
Deposit date:2015-01-18
Release date:2015-09-30
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.7 Å), NEUTRON DIFFRACTION
Cite: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
  • Download 4xq4
  • View 4xq4
Molmil generated image of 4xq4
X-RAY STRUCTURE ANALYSIS OF XYLANASE - N44D
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION
Authors: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.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
  • Download 4xqd
  • View 4xqd
Molmil generated image of 4xqd
X-RAY STRUCTURE ANALYSIS OF XYLANASE-WT AT PH4.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors: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.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
  • Download 4xqw
  • View 4xqw
Molmil generated image of 4xqw
X-RAY STRUCTURE ANALYSIS OF XYLANASE-N44E WITH MES AT PH6.0
Descriptor:Endo-1,4-beta-xylanase 2, IODIDE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors: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.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
5C8I
  • Download 5c8i
  • View 5c8i
Molmil generated image of 5c8i
JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH METHAZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
Authors:Aggarwal, M., Kovalevsky, A.Y., Fisher, S.Z., McKenna, R.
Deposit date:2015-06-25
Release date:2016-07-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.56 Å), NEUTRON DIFFRACTION
Cite:Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug.
IUCrJ, 3, 2016
5E5J
  • Download 5e5j
  • View 5e5j
Molmil generated image of 5e5j
JOINT X-RAY/NEUTRON STRUCTURE OF HIV-1 PROTEASE TRIPLE MUTANT (V32I,I47V,V82I) WITH DARUNAVIR AT PH 6.0
Descriptor:Protease, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Kovalevsky, A.Y., Gerlits, O.O.
Deposit date:2015-10-08
Release date:2016-05-04
Method:X-RAY DIFFRACTION (1.85 Å), NEUTRON DIFFRACTION
Cite:Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
5E5K
  • Download 5e5k
  • View 5e5k
Molmil generated image of 5e5k
JOINT X-RAY/NEUTRON STRUCTURE OF HIV-1 PROTEASE TRIPLE MUTANT (V32I,I47V,V82I) WITH DARUNAVIR AT PH 4.3
Descriptor:HIV-1 protease, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Kovalevsky, A.Y., Das, A.
Deposit date:2015-10-08
Release date:2016-05-04
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.75 Å), NEUTRON DIFFRACTION
Cite:Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
6BBS
  • Download 6bbs
  • View 6bbs
Molmil generated image of 6bbs
JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BRINZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
Authors:Kovalevsky, A., Aggarwal, M., McKenna, R.
Deposit date:2017-10-19
Release date:2018-02-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2 Å), NEUTRON DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BC9
  • Download 6bc9
  • View 6bc9
Molmil generated image of 6bc9
JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH DORZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
Authors:Kovalevsky, A., McKenna, R., Aggarwal, M.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.8 Å), NEUTRON DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BCC
  • Download 6bcc
  • View 6bcc
Molmil generated image of 6bcc
JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH ETHOXZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, 6-ethoxy-1,3-benzothiazole-2-sulfonamide
Authors:Kovalevsky, A., McKenna, R., Aggarwal, M.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.8 Å), NEUTRON DIFFRACTION
Cite:"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018