5J9G
 
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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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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: | 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
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6UCD
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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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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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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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7CRQ
 | | NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (2:1 binding mode) | | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CRP
 | | NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (1:1 binding mode) | | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CRO
 | | NSD2 bearing E1099K/T1150A dual mutation in complex with 187-bp NCP | | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CRR
 | | Native NSD3 bound to 187-bp nucleosome | | Descriptor: | DNA (168-MER), DNA(168-MER), Histone H2A, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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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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4RGF
 | | Crystal structure of the in-line aligned env22 twister ribozyme soaked with Mn2+ | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Ren, A, Rajashankar, K.R, Simanshu, D, Patel, D. | | Deposit date: | 2014-09-30 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2008 Å) | | Cite: | In-line alignment and Mg(2+) coordination at the cleavage site of the env22 twister ribozyme.
Nat Commun, 5, 2014
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4RGE
 | | Crystal structure of the in-line aligned env22 twister ribozyme | | Descriptor: | MAGNESIUM ION, env22 twister ribozyme | | Authors: | Ren, A, Rajashankar, K.R, Simanshu, D, Patel, D. | | Deposit date: | 2014-09-30 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | In-line alignment and Mg(2+) coordination at the cleavage site of the env22 twister ribozyme.
Nat Commun, 5, 2014
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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 | | 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
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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: | 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
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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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5JA4
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5K7E
 | | The structure of pistol ribozyme, soaked with Mn2+ | | Descriptor: | DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER | | Authors: | Ren, A, Patel, D. | | Deposit date: | 2016-05-26 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
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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: | 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
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2LA5
 | | RNA Duplex-Quadruplex Junction Complex with FMRP RGG peptide | | Descriptor: | Fragile X mental retardation 1 protein, RNA (36-MER) | | Authors: | Phan, A, Kuryavyi, V, Darnell, J, Serganov, A, Majumdar, A, Ilin, S, Darnell, R, Patel, D. | | Deposit date: | 2011-03-03 | | Release date: | 2011-06-08 | | Last modified: | 2011-07-20 | | Method: | SOLUTION NMR | | Cite: | Structure-function studies of FMRP RGG peptide recognition of an RNA duplex-quadruplex junction.
Nat.Struct.Mol.Biol., 18, 2011
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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: | 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
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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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5K7C
 | | The native structure of native pistol ribozyme | | Descriptor: | DNA/RNA 11-MER, MAGNESIUM ION, RNA 47-MER | | Authors: | Ren, A, Patel, D. | | Deposit date: | 2016-05-26 | | Release date: | 2016-07-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
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