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5J9G
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BU of 5j9g by Molmil
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
Last modified:2023-11-08
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
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BU of 5krs by Molmil
HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
Descriptor: 3-pyrrol-1-ylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, Integrase
Authors:Patel, D, Bauman, J.D, Arnold, E.
Deposit date:2016-07-07
Release date:2016-09-28
Last modified:2022-03-23
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
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BU of 5krt by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) in Complex with a Fragment-Derived Allosteric Inhibitor
Descriptor: 3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid, Integrase
Authors:Patel, D, Bauman, J.D, Arnold, E.
Deposit date:2016-07-07
Release date:2016-09-28
Last modified:2019-12-25
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
5FII
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BU of 5fii by Molmil
Structure of a human aspartate kinase, chorismate mutase and TyrA domain.
Descriptor: PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE
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
6UCD
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BU of 6ucd by Molmil
The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
Descriptor: Exotoxin
Authors:Patel, D, Young, P.G, Bunker, R.D, Baker, E.N, Fraser, J.D.
Deposit date:2019-09-16
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
To Be Published
4I2P
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BU of 4i2p by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue
Descriptor: (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein
Authors:Patel, D, Bauman, J.D, Das, K, Arnold, E.
Deposit date:2012-11-22
Release date:2013-01-16
Last modified:2024-02-28
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
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BU of 4i2q by Molmil
Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue
Descriptor: (2E)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9H-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile, 1,2-ETHANEDIOL, Gag-Pol polyprotein
Authors:Patel, D, Bauman, J.D, Das, K, Arnold, E.
Deposit date:2012-11-22
Release date:2013-01-16
Last modified:2024-02-28
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
4W9S
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BU of 4w9s by Molmil
2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease
Descriptor: 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2014-08-27
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease.
J.Med.Chem., 57, 2014
5IN3
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BU of 5in3 by Molmil
Crystal structure of glucose-1-phosphate bound nucleotidylated human galactose-1-phosphate uridylyltransferase
Descriptor: 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, ...
Authors:Kopec, J, McCorvie, T, Tallant, C, Velupillai, S, Shrestha, L, Fitzpatrick, F, Patel, D, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2016-03-07
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular basis of classic galactosemia from the structure of human galactose 1-phosphate uridylyltransferase.
Hum.Mol.Genet., 25, 2016
4DIU
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BU of 4diu by Molmil
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
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
To be Published
1HDJ
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BU of 1hdj by Molmil
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:2022-02-23
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance solution structure of the human Hsp40 (HDJ-1) J-domain.
J.Mol.Biol., 260, 1996
1W0H
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BU of 1w0h by Molmil
Crystallographic structure of the nuclease domain of 3'hExo, a DEDDh family member, bound to rAMP
Descriptor: 3'-5' EXONUCLEASE ERI1, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION
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
2L69
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BU of 2l69 by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR structure of de novo designed rossmann 2x3 fold protein, Northeast Structural Genomics Consortium Target OR28
To be Published
6E12
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BU of 6e12 by Molmil
Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
Descriptor: Alr8543 protein, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Forouhar, F, Neely, H, Seetharaman, J, Xiao, R, Ciccosanti, C, Patel, D, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2018-07-09
Release date:2018-07-25
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
To Be Published
1MV5
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BU of 1mv5 by Molmil
Crystal structure of LmrA ATP-binding domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yuan, Y, Chen, H, Patel, D.
Deposit date:2002-09-24
Release date:2003-12-02
Last modified:2022-12-21
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
3MGJ
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BU of 3mgj by Molmil
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
2KRT
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BU of 2krt by Molmil
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:2023-06-14
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
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BU of 2l81 by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target HR5554A
To be Published
3RRU
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BU of 3rru by Molmil
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
4N6C
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BU of 4n6c by Molmil
Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium (NESG) Target SpR36.
Descriptor: BROMIDE ION, uncharacterized protein
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
4G1Q
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BU of 4g1q by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2023-09-13
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
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BU of 4icl by Molmil
HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site
Descriptor: 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-10
Release date:2013-02-06
Last modified:2024-02-28
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
4IG0
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BU of 4ig0 by Molmil
HIV-1 reverse transcriptase with bound fragment at the 507 site
Descriptor: 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2024-02-28
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
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BU of 4ig3 by Molmil
HIV-1 reverse transcriptase with bound fragment near Knuckles site
Descriptor: (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2024-02-28
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
4IFY
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BU of 4ify by Molmil
HIV-1 reverse transcriptase with bound fragment at the Knuckles site
Descriptor: 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2024-02-28
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

 

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