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4EPQ
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BU of 4epq by Molmil
canonical poly(ADP-ribose) glycohydrolase RBPI inhibitor complex from Tetrahymena thermophila
Descriptor: 3-{(5Z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, Poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2012-04-17
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structure and mechanism of a canonical poly(ADP-ribose) glycohydrolase.
Nat Commun, 3, 2012
4J5S
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BU of 4j5s by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex
Descriptor: 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ...
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
4J5R
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BU of 4j5r by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 bound to ADP-HPD
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, CHLORIDE ION, ...
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
4J5Q
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BU of 4j5q by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1, apo structure
Descriptor: O-acetyl-ADP-ribose deacetylase 1
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
6TVH
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BU of 6tvh by Molmil
Selenomethionine-substituted HPF1 from Nematostella vectensis
Descriptor: Predicted protein
Authors:Ariza, A.
Deposit date:2020-01-09
Release date:2020-02-19
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation.
Nature, 579, 2020
4L2H
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BU of 4l2h by Molmil
Structure of a catalytically inactive PARG in complex with a poly-ADP-ribose fragment
Descriptor: Poly(ADP-ribose) glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Brassington, A, Dunstan, M.S, Leys, D.
Deposit date:2013-06-04
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Visualization of poly(ADP-ribose) bound to PARG reveals inherent balance between exo- and endo-glycohydrolase activities.
Nat Commun, 4, 2013
7AKR
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BU of 7akr by Molmil
Human ADP-ribosylserine hydrolase ARH3 mutant E41A in complex with ADP-ribose dimer
Descriptor: 1,2-ETHANEDIOL, ADP-ribose glycohydrolase ARH3, CHLORIDE ION, ...
Authors:Ariza, A.
Deposit date:2020-10-02
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal.
Nat Commun, 12, 2021
7AKS
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BU of 7aks by Molmil
Human ADP-ribosylserine hydrolase ARH3 mutant E41A in complex with H2B-S7-mar peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADP-ribose glycohydrolase ARH3, ...
Authors:Ariza, A.
Deposit date:2020-10-02
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal.
Nat Commun, 12, 2021
5O2D
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BU of 5o2d by Molmil
PARP14 Macrodomain 2 with inhibitor
Descriptor: Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide
Authors:Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2017-05-20
Release date:2017-11-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
ACS Chem. Biol., 12, 2017
8BAR
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BU of 8bar by Molmil
E. coli C7 DarT1 in complex with ADP-ribosylated ssDNA and nicotinamide
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, DNA (5'-D(*AP*AP*GP*AP*C)-3'), ...
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAS
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BU of 8bas by Molmil
E. coli C7 DarT1 in complex with carba-NAD and DNA
Descriptor: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*AP*GP*AP*C)-3'), ...
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAT
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BU of 8bat by Molmil
Geobacter lovleyi NADAR
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Geobacter lovleyi NADAR
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAQ
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BU of 8baq by Molmil
E. coli C7 DarT1 in complex with NAD+
Descriptor: 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAU
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BU of 8bau by Molmil
Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8ADK
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BU of 8adk by Molmil
Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster
Descriptor: CHLORIDE ION, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ...
Authors:Ariza, A, Fontana, P.
Deposit date:2022-07-08
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.474 Å)
Cite:Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling.
Nat Commun, 14, 2023
8ADJ
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BU of 8adj by Molmil
Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272
Descriptor: 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ...
Authors:Ariza, A, Fontana, P.
Deposit date:2022-07-08
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling.
Nat Commun, 14, 2023
3SII
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BU of 3sii by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase bound to the inhibitor ADP-HPD from Thermomonospora curvata
Descriptor: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2011-06-18
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3SIH
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BU of 3sih by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase (PARG) from Thermomonospora curvata
Descriptor: poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2011-06-18
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3SIG
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BU of 3sig by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase (PARG) bound to ADP-ribose from Thermomonospora curvata
Descriptor: [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, poly(ADP-ribose) glycohydrolase
Authors:Leys, D, Dunstan, M.S.
Deposit date:2011-06-18
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3SIJ
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BU of 3sij by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase E115A mutant from Thermomonospora curvata
Descriptor: poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2011-06-18
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
6G2A
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BU of 6g2a by Molmil
Human [protein ADP-ribosylargenine] hydrolase ARH1 in complex with ADP-HPM
Descriptor: ACETATE ION, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, CHLORIDE ION, ...
Authors:Ariza, A.
Deposit date:2018-03-22
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:(ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
6G1P
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BU of 6g1p by Molmil
Apo form of ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae
Descriptor: ACETATE ION, ADP-ribosylhydrolase like 2, CITRIC ACID, ...
Authors:Ariza, A.
Deposit date:2018-03-21
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:(ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
5RSO
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BU of 5rso by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226
Descriptor: Non-structural protein 3, PARA ACETAMIDO BENZOIC ACID
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2022-05-25
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RT7
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BU of 5rt7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276
Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2022-05-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RTO
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BU of 5rto by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302
Descriptor: 4-PIPERIDINO-PIPERIDINE, Non-structural protein 3
Authors:Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2020-09-28
Release date:2020-12-16
Last modified:2022-05-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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