5FII
| 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain. Sci.Rep., 6, 2016
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5KRS
| 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
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5KRT
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5J9G
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6UCD
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4I2P
| 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
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4I2Q
| 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
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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: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance solution structure of the human Hsp40 (HDJ-1) J-domain. J.Mol.Biol., 260, 1996
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4W9S
| 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
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4LN7
| 5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease | Descriptor: | 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-07-11 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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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: | 2024-05-08 | 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
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4M4Q
| 6-(4-fluorophenyl)-3-hydroxy-5-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl] -1,2-dihydropyridin-2-one bound to influenza 2009 H1N1 endonuclease | Descriptor: | 6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-07 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M5U
| 5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 pH1N1 endonuclease | Descriptor: | 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase PA, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease. Bioorg.Med.Chem., 21, 2013
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4M5Q
| High-resolution apo influenza 2009 H1N1 endonuclease structure | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Polymerase PA | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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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
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5IN3
| 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
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1MV5
| 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: | 2024-05-22 | 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
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1W0H
| 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
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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: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of de novo designed rossmann 2x3 fold protein, Northeast Structural Genomics Consortium Target OR28 To be Published
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4N6C
| 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
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6E12
| 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
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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
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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: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target HR5554A To be Published
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4M5O
| 3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 H1N1 endonuclease | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-phenylpyridin-2(5H)-one, MANGANESE (II) ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M5V
| Influenza 2009 H1N1 endonuclease with 100 millimolar calcium | Descriptor: | CALCIUM ION, Polymerase PA, SULFATE ION | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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