3UMV
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![BU of 3umv by Molmil](/molmil-images/mine/3umv) | Eukaryotic Class II CPD photolyase structure reveals a basis for improved UV-tolerance in plants | Descriptor: | 1,2-ETHANEDIOL, Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Arvai, A.S, Hitomi, K, Getzoff, E.D, Tainer, J.A. | Deposit date: | 2011-11-14 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Eukaryotic Class II Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals Basis for Improved Ultraviolet Tolerance in Plants. J.Biol.Chem., 287, 2012
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6X1Y
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![BU of 6x1y by Molmil](/molmil-images/mine/6x1y) | Mre11 dimer in complex with small molecule modulator PFMI | Descriptor: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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8GJA
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![BU of 8gja by Molmil](/molmil-images/mine/8gja) | RAD51C-XRCC3 structure | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ... | Authors: | Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A. | Deposit date: | 2023-03-15 | Release date: | 2023-08-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nat Commun, 14, 2023
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8GJ9
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8GJ8
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![BU of 8gj8 by Molmil](/molmil-images/mine/8gj8) | RAD51C C-terminal domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C | Authors: | Arvai, A.S, Tainer, J.A, Williams, G. | Deposit date: | 2023-03-15 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nat Commun, 14, 2023
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6X1Z
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![BU of 6x1z by Molmil](/molmil-images/mine/6x1z) | Mre11 dimer in complex with small molecule modulator PFMJ | Descriptor: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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3K3K
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![BU of 3k3k by Molmil](/molmil-images/mine/3k3k) | Crystal structure of dimeric abscisic acid (ABA) receptor pyrabactin resistance 1 (PYR1) with ABA-bound closed-lid and ABA-free open-lid subunits | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYR1 | Authors: | Arvai, A.S, Hitomi, K, Getzoff, E.D. | Deposit date: | 2009-10-02 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural mechanism of abscisic acid binding and signaling by dimeric PYR1. Science, 326, 2009
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7KXB
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![BU of 7kxb by Molmil](/molmil-images/mine/7kxb) | Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 | Descriptor: | BETA-MERCAPTOETHANOL, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea, Non-structural protein 3, ... | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-12-03 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7LG7
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![BU of 7lg7 by Molmil](/molmil-images/mine/7lg7) | Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345 | Descriptor: | 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide, Non-structural protein 3, SULFATE ION | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2021-01-19 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG3
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![BU of 7kg3 by Molmil](/molmil-images/mine/7kg3) | Crystal structure of CoV-2 Nsp3 Macrodomain | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ... | Authors: | Arvai, A, Brosey, C.A, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG0
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![BU of 7kg0 by Molmil](/molmil-images/mine/7kg0) | Structure of human PARG complexed with PARG-131 | Descriptor: | 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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4D9S
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![BU of 4d9s by Molmil](/molmil-images/mine/4d9s) | Crystal structure of Arabidopsis thaliana UVR8 (UV Resistance locus 8) | Descriptor: | UVB-resistance protein UVR8 | Authors: | Arvai, A.S, Christie, J.M, Pratt, A.J, Hitomi, K, Getzoff, E.D. | Deposit date: | 2012-01-11 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Plant UVR8 Photoreceptor Senses UV-B by Tryptophan-Mediated Disruption of Cross-Dimer Salt Bridges. Science, 335, 2012
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3SOK
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![BU of 3sok by Molmil](/molmil-images/mine/3sok) | Dichelobacter nodosus pilin FimA | Descriptor: | Fimbrial protein | Authors: | Arvai, A.S, Craig, L, Hartung, S, Wood, T, Kolappan, S, Shin, D.S, Tainer, J.A. | Deposit date: | 2011-06-30 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ultrahigh Resolution and Full-length Pilin Structures with Insights for Filament Assembly, Pathogenic Functions, and Vaccine Potential. J.Biol.Chem., 286, 2011
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1VKG
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![BU of 1vkg by Molmil](/molmil-images/mine/1vkg) | Crystal Structure of Human HDAC8 complexed with CRA-19156 | Descriptor: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-13 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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4OY8
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![BU of 4oy8 by Molmil](/molmil-images/mine/4oy8) | Structure of ScLPMO10B in complex with zinc. | Descriptor: | ACETATE ION, Putative secreted cellulose-binding protein, ZINC ION | Authors: | Forsberg, Z, Mackenzie, A.K, Sorlie, M, Rohr, A.K, Helland, R, Arvai, A.S, Vaaje-Kolstad, G, Eijsink, V.G.H. | Deposit date: | 2014-02-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases. Proc.Natl.Acad.Sci.USA, 111, 2014
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4YDS
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4ZBH
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6ASC
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![BU of 6asc by Molmil](/molmil-images/mine/6asc) | Mre11 dimer in complex with Endonuclease inhibitor PFM04 | Descriptor: | (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, MANGANESE (II) ION, ... | Authors: | Moiani, D, Arvai, A.S, Tainer, J.A. | Deposit date: | 2017-08-24 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities. Meth. Enzymol., 601, 2018
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5UM9
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![BU of 5um9 by Molmil](/molmil-images/mine/5um9) | Flap endonuclease 1 (FEN1) D86N with 5'-flap substrate DNA and Sm3+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*CP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2017-01-26 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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3NOD
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![BU of 3nod by Molmil](/molmil-images/mine/3nod) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, L-THIOCITRULLINE, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1998-03-06 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate. Science, 279, 1998
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8TLY
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8TUK
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![BU of 8tuk by Molmil](/molmil-images/mine/8tuk) | Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain | Descriptor: | 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE | Authors: | Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B. | Deposit date: | 2023-08-16 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase. J.Biol.Chem., 300, 2024
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2AV8
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![BU of 2av8 by Molmil](/molmil-images/mine/2av8) | Y122F MUTANT OF RIBONUCLEOTIDE REDUCTASE FROM ESCHERICHIA COLI | Descriptor: | FE (II) ION, MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2 | Authors: | Han, S, Arvai, A, Tainer, J.A. | Deposit date: | 1997-09-30 | Release date: | 1998-10-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography. Biochemistry, 37, 1998
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1AV8
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![BU of 1av8 by Molmil](/molmil-images/mine/1av8) | RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT FROM E. COLI | Descriptor: | MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2 | Authors: | Han, S, Arvai, A, Tainer, J.A. | Deposit date: | 1997-09-30 | Release date: | 1998-10-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography. Biochemistry, 37, 1998
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5K97
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![BU of 5k97 by Molmil](/molmil-images/mine/5k97) | Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+ | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-05-31 | Release date: | 2017-06-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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