8GD7
 
 | | Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ... | | Authors: | Fried, W.A, Chen, X.S, Li, S.X. | | Deposit date: | 2023-03-03 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Discovery of a small-molecule inhibitor that traps Pol theta on DNA and synergizes with PARP inhibitors.
Nat Commun, 15, 2024
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4NQW
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4TRQ
 | | Crystal structure of Sac3/Thp1/Sem1 | | Descriptor: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | | Authors: | Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T. | | Deposit date: | 2014-06-17 | | Release date: | 2015-08-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression.
Cell, 162, 2015
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4JJU
 | | Crystal structure of HCV NS5B polymerase in complex with COMPOUND 29 | | Descriptor: | 1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | | Authors: | Coulombe, R. | | Deposit date: | 2013-03-08 | | Release date: | 2013-06-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype.
Bioorg.Med.Chem.Lett., 23, 2013
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4JJS
 | | Crystal structure of HCV NS5B polymerase in complex with COMPOUND 2 | | Descriptor: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid, Genome polyprotein, MAGNESIUM ION | | Authors: | Coulombe, R. | | Deposit date: | 2013-03-08 | | Release date: | 2013-06-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype.
Bioorg.Med.Chem.Lett., 23, 2013
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5FGM
 | | Streptomyces coelicolor SigR region 4 | | Descriptor: | ECF RNA polymerase sigma factor SigR | | Authors: | Park, S.Y. | | Deposit date: | 2015-12-21 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | In Streptomyces coelicolor SigR, methionine at the -35 element interacting region 4 confers the -31'-adenine base selectivity
Biochem.Biophys.Res.Commun., 470, 2016
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7KD4
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7KD5
 | | Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P212121 | | Descriptor: | 1,2-ETHANEDIOL, Maltodextrin-binding protein and Phosphoprotein fusion protein, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | | Authors: | Webby, M.N, Kingston, R.L. | | Deposit date: | 2020-10-08 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Viruses, 13, 2021
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2BBP
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4M2Y
 | | Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA | | Descriptor: | DNA polymerase beta, SODIUM ION, down-primer, ... | | Authors: | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-08-05 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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6R4S
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6R4U
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4NM1
 | | Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-11-14 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.415 Å) | | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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4NM2
 | | Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-G at N-1 position and G-C at N position | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-11-14 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.524 Å) | | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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4NLK
 | | Structure of human DNA polymerase beta complexed with 8BrG in the template base-paired with incoming non-hydrolyzable CTP | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3', ... | | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-11-14 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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4YTK
 | | Structure of the KOW1-Linker1 domain of Transcription Elongation Factor Spt5 | | Descriptor: | Transcription elongation factor SPT5 | | Authors: | Meyer, P.A, Li, S, Zhang, M, Yamada, K, Takagi, Y, Hartzog, G.A, Fu, J. | | Deposit date: | 2015-03-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.0904 Å) | | Cite: | Structures and Functions of the Multiple KOW Domains of Transcription Elongation Factor Spt5.
Mol.Cell.Biol., 35, 2015
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6USJ
 | | Structure of two nucleosomes bridged by human PARP2 | | Descriptor: | Histone H2A, Histone H2B type 1-J, Histone H3.1, ... | | Authors: | Gaullier, G, Bowerman, S, Luger, K. | | Deposit date: | 2019-10-27 | | Release date: | 2020-10-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (10.5 Å) | | Cite: | Bridging of nucleosome-proximal DNA double-strand breaks by PARP2 enhances its interaction with HPF1.
Plos One, 15, 2020
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3PHX
 | | OTU Domain of Crimean Congo Hemorrhagic Fever Virus in complex with ISG15 | | Descriptor: | ACETIC ACID, ETHANAMINE, RNA-directed RNA polymerase L, ... | | Authors: | Akutsu, M, Ye, Y, Virdee, S, Komander, D. | | Deposit date: | 2010-11-04 | | Release date: | 2011-02-02 | | Last modified: | 2014-08-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis for ubiquitin and ISG15 cross-reactivity in viral ovarian tumor domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4NLN
 | | Structure of human DNA polymerase beta complexed with nicked DNA containing a template 8BrG and incoming CTP | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-11-14 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.261 Å) | | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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4NLZ
 | | Structure of human DNA polymerase beta complexed with nicked DNA containing a mismatched template 8BrG and incoming GTP | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*AP*G)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | | Deposit date: | 2013-11-14 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.683 Å) | | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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6Y80
 | | Fragment KCL_916 in complex with MAP kinase p38-alpha | | Descriptor: | 1-(2-adamantylmethyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6Y81
 | | Fragment KCL_1088 in complex with MAP kinase p38-alpha | | Descriptor: | (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide, 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6Y7X
 | | Fragment KCL_771 in complex with MAP kinase p38-alpha | | Descriptor: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6YCW
 | | Fragment KCL_K767 in complex with MAP kinase p38-alpha | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, Mitogen-activated protein kinase 14, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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8SO8
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