Author results

5FII
  • Download 5fii
  • View 5fii
Molmil generated image of 5fii
STRUCTURE OF A HUMAN ASPARTATE KINASE, CHORISMATE MUTASE AND TYRA DOMAIN.
Descriptor:PHENYLALANINE-4-HYDROXYLASE, PHENYLALANINE
Authors:Patel, D., Kopec, J., Shrestha, L., Fitzpatrick, F., Pinkas, D., Chaikuad, A., Dixon-Clarke, S., McCorvie, T.J., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Edwards, A., Bountra, C., Yue, W.W.
Deposit date:2015-09-25
Release date:2016-03-30
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain.
Sci.Rep., 6, 2016
5J9G
  • Download 5j9g
  • View 5j9g
Molmil generated image of 5j9g
STRUCTURE OF LACTOBACILLUS ACIDOPHILUS GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE AT 2.21 ANGSTROM RESOLUTION
Descriptor:Glyceraldehyde-3-p dehydrogenase
Authors:Patel, D., Pappachan, A., Singh, D.D.
Deposit date:2016-04-10
Release date:2017-04-19
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of Lactobacillus acidophilus glyceraldehyde-3-phosphate dehydrogenase at 2.21 angstrom resolution.
To Be Published
5KRS
  • Download 5krs
  • View 5krs
Molmil generated image of 5krs
HIV-1 INTEGRASE CATALYTIC CORE DOMAIN IN COMPLEX WITH AN ALLOSTERIC INHIBITOR, 3-(1H-PYRROL-1-YL)-2-THIOPHENECARBOXYLIC ACID
Descriptor:Integrase, DIMETHYL SULFOXIDE, 3-pyrrol-1-ylthiophene-2-carboxylic acid
Authors:Patel, D., Bauman, J.D., Arnold, E.
Deposit date:2016-07-07
Release date:2016-09-28
Last modified:2016-11-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain.
J.Biol.Chem., 291, 2016
5KRT
  • Download 5krt
  • View 5krt
Molmil generated image of 5krt
HIV-1 INTEGRASE CATALYTIC CORE DOMAIN (CCD) IN COMPLEX WITH A FRAGMENT-DERIVED ALLOSTERIC INHIBITOR
Descriptor:Integrase, 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid
Authors:Patel, D., Bauman, J.D., Arnold, E.
Deposit date:2016-07-07
Release date:2016-09-28
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain.
J.Biol.Chem., 291, 2016
4I2P
  • Download 4i2p
  • View 4i2p
Molmil generated image of 4i2p
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH RILPIVIRINE (TMC278) BASED ANALOGUE
Descriptor:Gag-Pol polyprotein, (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile
Authors:Patel, D., Bauman, J.D., Das, K., Arnold, E.
Deposit date:2012-11-22
Release date:2013-01-16
Last modified:2017-04-19
Method:X-RAY DIFFRACTION (2.2964 Å)
Cite:A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants.
Retrovirology, 9, 2012
4I2Q
  • Download 4i2q
  • View 4i2q
Molmil generated image of 4i2q
CRYSTAL STRUCTURE OF K103N/Y181C MUTANT OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH RILPIVIRINE (TMC278) ANALOGUE
Descriptor:Gag-Pol polyprotein, (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile, 1,2-ETHANEDIOL
Authors:Patel, D., Bauman, J.D., Das, K., Arnold, E.
Deposit date:2012-11-22
Release date:2013-01-16
Method:X-RAY DIFFRACTION (2.7004 Å)
Cite:A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants.
Retrovirology, 9, 2012
4DIU
  • Download 4diu
  • View 4diu
Molmil generated image of 4diu
CRYSTAL STRUCTURE OF ENGINEERED PROTEIN. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR94
Descriptor:Engineered Protein PF00326
Authors:Seetharaman, J., Lew, S., Wang, D., Kohan, E., Patel, D., Whitehead, T., Fleishman, S., Ciccosanti, C., Xiao, R., Everett, J.K., Acton, T.B., Baker, D., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-01-31
Release date:2012-04-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
To be Published
2L69
  • Download 2l69
  • View 2l69
Molmil generated image of 2l69
SOLUTION NMR STRUCTURE OF DE NOVO DESIGNED PROTEIN, P-LOOP NTPASE FOLD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR28
Descriptor:Rossmann 2x3 fold protein
Authors:Liu, G., Koga, N., Koga, R., Xiao, R., Mao, A., Mao, B., Patel, D., Ciccosanti, C., Hamilton, K., Acton, T.B., Baker, D., Montelione, G.T., Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-11-17
Release date:2011-01-12
Last modified:2012-02-22
Method:SOLUTION NMR
Cite:Solution NMR structure of de novo designed rossmann 2x3 fold protein, Northeast Structural Genomics Consortium Target OR28
To be Published
3MGJ
  • Download 3mgj
  • View 3mgj
Molmil generated image of 3mgj
CRYSTAL STRUCTURE OF THE SACCHAROP_DH_N DOMAIN OF MJ1480 PROTEIN FROM METHANOCOCCUS JANNASCHII. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MJR83A.
Descriptor:Uncharacterized protein MJ1480
Authors:Vorobiev, S., Neely, H., Seetharaman, J., Lee, D., Patel, D., Ciccosanti, C., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-06
Release date:2010-04-21
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal structure of the Saccharop_dh_N domain of MJ1480 protein from Methanococcus jannaschii.
To be Published
4N6C
  • Download 4n6c
  • View 4n6c
Molmil generated image of 4n6c
CRYSTAL STRUCTURE OF THE B1RZQ2 PROTEIN FROM STREPTOCOCCUS PNEUMONIAE. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SPR36.
Descriptor:uncharacterized protein, BROMIDE ION
Authors:Vorobiev, S., Seetharaman, J., Patel, D., Xiao, R., Ciccosanti, C., Wang, D., Everett, J.K., Acton, T.B., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-11
Release date:2013-10-30
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae.
To be Published
1HDJ
  • Download 1hdj
  • View 1hdj
Molmil generated image of 1hdj
HUMAN HSP40 (HDJ-1), NMR
Descriptor:HUMAN HSP40
Authors:Qian, Y.Q., Patel, D., Hartl, F.-U., Mccoll, D.J.
Deposit date:1996-05-09
Release date:1996-11-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance solution structure of the human Hsp40 (HDJ-1) J-domain.
J.Mol.Biol., 260, 1996
1MV5
  • Download 1mv5
  • View 1mv5
Molmil generated image of 1mv5
CRYSTAL STRUCTURE OF LMRA ATP-BINDING DOMAIN
Descriptor:Multidrug resistance ABC transporter ATP-binding and permease protein, ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Yuan, Y., Chen, H., Patel, D.
Deposit date:2002-09-24
Release date:2003-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of LmrA ATP-binding domain reveals the two-site alternating mechanism at molecular level
To be Published
1W0H
  • Download 1w0h
  • View 1w0h
Molmil generated image of 1w0h
CRYSTALLOGRAPHIC STRUCTURE OF THE NUCLEASE DOMAIN OF 3'HEXO, A DEDDH FAMILY MEMBER, BOUND TO RAMP
Descriptor:3'-5' EXONUCLEASE ERI1, MAGNESIUM ION, ADENOSINE MONOPHOSPHATE
Authors:Cheng, Y., Patel, D.
Deposit date:2004-06-04
Release date:2004-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystallographic Structure of the Nuclease Domain of 3'Hexo, a Deddh Family Member, Bound to Ramp
J.Mol.Biol., 343, 2004
2KRT
  • Download 2krt
  • View 2krt
Molmil generated image of 2krt
SOLUTION NMR STRUCTURE OF A CONSERVED HYPOTHETICAL MEMBRANE LIPOPROTEIN OBTAINED FROM UREAPLASMA PARVUM: NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET UUR17A (139-239)
Descriptor:Conserved hypothetical membrane lipoprotein
Authors:Mani, R., Swapna, G., Janjua, H., Ciccosanti, C., Huang, Y., Patel, D., Xiao, R., Acton, T., Everett, J., Montelione, G.T., Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-12-22
Release date:2010-01-05
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of a Conserved Hypothetical Membrane Lipoprotein obtained from Ureaplasma parvum : Northeast Structural Genomics Consortium Target UuR17A (139-239)
To be Published
2L81
  • Download 2l81
  • View 2l81
Molmil generated image of 2l81
SOLUTION NMR STRUCTURE OF THE SERINE-RICH DOMAIN OF HEF1 (ENHANCER OF FILAMENTATION 1) FROM HOMO SAPIENS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET HR5554A
Descriptor:Enhancer of filamentation 1
Authors:Liu, G., Xiao, R., Huang, Y.J., Patel, D., Ciccosanti, C.T., Acton, T.B., Tong, S., Everett, J.T., Montelione, G.T., Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-12-31
Release date:2011-02-09
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target HR5554A
To be Published
3RRU
  • Download 3rru
  • View 3rru
Molmil generated image of 3rru
X-RAY CRYSTAL STRUCTURE OF THE VHS DOMAIN OF HUMAN TOM1-LIKE PROTEIN, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET HR3050E
Descriptor:TOM1L1 protein
Authors:Forouhar, F., Lew, S., Seetharaman, J., Wang, H., Ciccosanti, C., Patel, D., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Hunt, J.F., Tong, L., Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-30
Release date:2011-06-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E
To be Published
4G1Q
  • Download 4g1q
  • View 4g1q
Molmil generated image of 4g1q
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH RILPIVIRINE (TMC278, EDURANT), A NON-NUCLEOSIDE RT-INHIBITING DRUG
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
4ICL
  • Download 4icl
  • View 4icl
Molmil generated image of 4icl
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE INCOMING DNTP BINDING SITE
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-10
Release date:2013-02-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4ID5
  • Download 4id5
  • View 4id5
Molmil generated image of 4id5
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE RNASE H PRIMER GRIP SITE
Descriptor:Reverse transcriptase/ribonuclease H, P51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-11
Release date:2013-02-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IDK
  • Download 4idk
  • View 4idk
Molmil generated image of 4idk
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE 428 SITE
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-12
Release date:2013-02-06
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IFV
  • Download 4ifv
  • View 4ifv
Molmil generated image of 4ifv
DETECTING ALLOSTERIC SITES OF HIV-1 REVERSE TRANSCRIPTASE BY X-RAY CRYSTALLOGRAPHIC FRAGMENT SCREENING
Descriptor:Exoribonuclease H, p66 RT, Gag-Pol polyprotein, ...
Authors:Bauman, J.D., Patel, D., Fromer, M., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IFY
  • Download 4ify
  • View 4ify
Molmil generated image of 4ify
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE KNUCKLES SITE
Descriptor:REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IG0
  • Download 4ig0
  • View 4ig0
Molmil generated image of 4ig0
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT THE 507 SITE
Descriptor:Reverse transcriptase/ribonuclease H, P51 RT, 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IG3
  • Download 4ig3
  • View 4ig3
Molmil generated image of 4ig3
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT NEAR KNUCKLES SITE
Descriptor:Reverse transcriptase/ribonuclease H, P51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4KFB
  • Download 4kfb
  • View 4kfb
Molmil generated image of 4kfb
HIV-1 REVERSE TRANSCRIPTASE WITH BOUND FRAGMENT AT NNRTI ADJACENT SITE
Descriptor:REVERSE TRANSCRIPTASE/RIBONUCLEASE H, EXORIBONUCLEA P66 RT, P51 RT, ...
Authors:Bauman, J.D., Patel, D., Arnold, E.
Deposit date:2013-04-26
Release date:2013-05-15
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
<123>