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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139D
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1HWV
| MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-10 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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1HX4
| MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-11 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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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: | 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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134D
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6UCD
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4IUR
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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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1D83
| STRUCTURE REFINEMENT OF THE CHROMOMYCIN DIMER/DNA OLIGOMER COMPLEX IN SOLUTION | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | Authors: | Gao, X, Mirau, P, Patel, D.J. | Deposit date: | 1992-07-22 | Release date: | 1993-07-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure refinement of the chromomycin dimer-DNA oligomer complex in solution. J.Mol.Biol., 223, 1992
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1D6D
| SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT. | Descriptor: | 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3' | Authors: | Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J. | Deposit date: | 1999-10-13 | Release date: | 2000-01-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads. J.Mol.Biol., 295, 2000
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1CR3
| SOLUTION CONFORMATION OF THE (+)TRANS-ANTI-BENZO[G]CHRYSENE-DA ADDUCT OPPOSITE DT IN A DNA DUPLEX | Descriptor: | BENZO[G]CHRYSENE, DNA (5'-D(*CP*TP*CP*TP*CP*AP*CP*TP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*GP*TP*GP*AP*GP*AP*G)-3') | Authors: | Suri, A.K, Mao, B, Amin, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 1999-08-12 | Release date: | 2000-02-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution conformation of the (+)-trans-anti-benzo[g]chrysene-dA adduct opposite dT in a DNA duplex. J.Mol.Biol., 292, 1999
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7MKK
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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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7R76
| Cryo-EM structure of DNMT5 in apo state | Descriptor: | DNA repair protein Rad8, ZINC ION | Authors: | Wang, J, Patel, D.J. | Deposit date: | 2021-06-24 | Release date: | 2022-02-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance. Mol.Cell, 82, 2022
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7SHP
| Crystal structure of hSTING in complex with c[2',3'-(ribo-2'-G, xylo-3'-A)-MP](RJ244) | Descriptor: | (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J. | Deposit date: | 2021-10-11 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists. Cell Chem Biol, 2023
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7SJR
| Cryo-EM structure of AdnA-AdnB(W325A) in complex with DNA and AMPPNP | Descriptor: | DNA (70-MER), DNA helicase, IRON/SULFUR CLUSTER, ... | Authors: | Wang, J, Warren, G.M, Shuman, S, Patel, D.J. | Deposit date: | 2021-10-18 | Release date: | 2021-12-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure-activity relationships at a nucleobase-stacking tryptophan required for chemomechanical coupling in the DNA resecting motor-nuclease AdnAB. Nucleic Acids Res., 50, 2022
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8T64
| Apo Cam1(42-206) | Descriptor: | Cam1 | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence. Nature, 625, 2024
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7R77
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8T65
| cA4 bound Cam1 | Descriptor: | Cam1, RNA (5'-R(P*AP*AP*AP*A)-3') | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence. Nature, 625, 2024
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8T66
| cA6 bound Cam1 | Descriptor: | Cam1, RNA (5'-R(P*AP*AP*AP*AP*A)-3') | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence. Nature, 625, 2024
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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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