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PDB: 132 results

6X1Y
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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
6X1Z
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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
3UMV
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BU of 3umv by Molmil
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
8GJ9
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BU of 8gj9 by Molmil
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
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJA
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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
8GJ8
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BU of 8gj8 by Molmil
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
3K3K
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BU of 3k3k by Molmil
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
4D9S
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BU of 4d9s by Molmil
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
7LG7
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BU of 7lg7 by Molmil
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
7KXB
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BU of 7kxb by Molmil
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
7KG3
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BU of 7kg3 by Molmil
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
7KG0
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BU of 7kg0 by Molmil
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
3SOK
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BU of 3sok by Molmil
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
3SOJ
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BU of 3soj by Molmil
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:2014-05-14
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
4SKN
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BU of 4skn by Molmil
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
4ENJ
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BU of 4enj by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-hydroxyethylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(EHG)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.0989 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4ENM
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BU of 4enm by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-benzylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(BZG)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8402 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4ENK
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BU of 4enk by Molmil
Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-propylguanine
Descriptor: Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*GP*(6PO)P*CP*TP*AP*GP*TP*A)-3')
Authors:Tubbs, J.L, Arvai, A.S, Tainer, J.A.
Deposit date:2012-04-13
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.0445 Å)
Cite:Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines.
Mol.Cell, 47, 2012
4EER
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BU of 4eer by Molmil
Crystal structure of LOV2 domain of Arabidopsis thaliana phototropin 2 C426A mutant
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2012-03-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability.
J.Biol.Chem., 287, 2012
4EES
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BU of 4ees by Molmil
Crystal structure of iLOV
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2012-03-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability.
J.Biol.Chem., 287, 2012
1AV8
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BU of 1av8 by Molmil
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:2023-08-02
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
6ASC
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BU of 6asc by Molmil
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
5UM9
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BU of 5um9 by Molmil
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
4IEM
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BU of 4iem by Molmil
Human apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*C)-3'), DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3'), ...
Authors:Tsutakawa, S.E, Mol, C.D, Arvai, A.S, Tainer, J.A.
Deposit date:2012-12-13
Release date:2013-01-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3936 Å)
Cite:Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
6VBH
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BU of 6vbh by Molmil
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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