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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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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8GJ9
 | | RAD51C N-terminal domain | | Descriptor: | RAD51C, ZINC ION | | Authors: | Arvai, A.S, Tainer, J.A, Williams, G. | | Deposit date: | 2023-03-15 | | Release date: | 2023-08-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
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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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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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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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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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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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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: | 2024-10-16 | | 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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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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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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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: | 2024-11-06 | | 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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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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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: | 2024-11-13 | | 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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3SOJ
 | | Francisella tularensis pilin PilE | | Descriptor: | PilE, SULFATE ION | | Authors: | Wood, T, Arvai, A.S, Shin, D.S, Hartung, S, Kolappan, S, Craig, L, Tainer, J.A. | | Deposit date: | 2011-06-30 | | Release date: | 2011-11-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1 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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6VBH
 | | Human XPG endonuclease catalytic domain | | Descriptor: | DNA repair protein complementing XP-G cells,Flap endonuclease 1, SULFATE ION | | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2019-12-18 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Human XPG nuclease structure, assembly, and activities with insights for neurodegeneration and cancer from pathogenic mutations.
Proc.Natl.Acad.Sci.USA, 117, 2020
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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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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: | 2024-10-09 | | 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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4SKN
 | | A NUCLEOTIDE-FLIPPING MECHANISM FROM THE STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE BOUND TO DNA | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(D1P)P*GP*GP*CP*TP*T)-3'), PROTEIN (URACIL-DNA GLYCOSYLASE), ... | | Authors: | Slupphaug, G, Mol, C.D, Kavli, B, Arvai, A.S, Krokan, H.E, Tainer, J.A. | | Deposit date: | 1999-02-20 | | Release date: | 1999-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A nucleotide-flipping mechanism from the structure of human uracil-DNA glycosylase bound to DNA.
Nature, 384, 1996
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8TLY
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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
 | | 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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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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5KSE
 | | Flap endonuclease 1 (FEN1) R100A 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*AP*AP*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: | 2016-07-08 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.105 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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4O24
 | | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | | Descriptor: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
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