|
3KCZ
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Deposited 2009-10-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
235–579(345 aa)
Fragment:Catalytic domain
|
Not recorded
|
3AB 3-aminobenzamide × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 9;277 K;22% PEG 3350, 0.1M Tris-HCl, 0.01M 3-aminobenzamide, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å
R-free 0.237
|
|
3KCZ
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Deposited 2009-10-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
235–579(345 aa)
Fragment:Catalytic domain
|
Not recorded
|
3AB 3-aminobenzamide × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 9;277 K;22% PEG 3350, 0.1M Tris-HCl, 0.01M 3-aminobenzamide, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å
R-free 0.237
|
|
3KJD
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888
Deposited 2009-11-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
235–579(345 aa)
Fragment:catalytic domain
|
Not recorded
|
78P (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;25% PEG 3350, 0.1M Tris, 0.25M NaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å
R-free 0.232
|
|
3KJD
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888
Deposited 2009-11-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
235–579(345 aa)
Fragment:catalytic domain
|
Not recorded
|
78P (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;25% PEG 3350, 0.1M Tris, 0.25M NaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å
R-free 0.232
|
|
4PJV
Structure of PARP2 catalytic domain bound to inhibitor BMN 673
Deposited 2014-05-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
235–579(345 aa)
Fragment:PARP2 HELICAL AND CATALYTIC DOMAINS (UNP residues 235-579)
|
Not recorded
|
2YQ (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 7.5;289 K;(W/V) POLYETHYLENE GLYCOL 3350, 333 mM SODIUM CHLORIDE.
|
Resolution 2.50 Å
R-free 0.287
|
|
4PJV
Structure of PARP2 catalytic domain bound to inhibitor BMN 673
Deposited 2014-05-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
235–579(345 aa)
Fragment:PARP2 HELICAL AND CATALYTIC DOMAINS (UNP residues 235-579)
|
Not recorded
|
2YQ (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 7.5;289 K;(W/V) POLYETHYLENE GLYCOL 3350, 333 mM SODIUM CHLORIDE.
|
Resolution 2.50 Å
R-free 0.287
|
|
4TVJ
HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB
Deposited 2014-06-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: Monomeric
|
Chain A
235–579(345 aa)
|
Not recorded
|
09L 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;25% PEG3350, 0.1M Tris
|
Resolution 2.10 Å
R-free 0.231
|
|
4TVJ
HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB
Deposited 2014-06-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: Monomeric
|
Chain B
235–579(345 aa)
|
Not recorded
|
09L 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;25% PEG3350, 0.1M Tris
|
Resolution 2.10 Å
R-free 0.231
|
|
4ZZX
Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor
Deposited 2015-04-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
223–583(361 aa)
Fragment:CATALYTIC DOMAIN, UNP RESIDUES 223-583
|
Not recorded
|
FSU 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
277 K;25% PEG4000, 0.2M MAGNESIUM CHLORIDE, 0.1 M TRIS PH 8.5, 277K
|
Resolution 1.65 Å
R-free 0.244
|
|
4ZZX
Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor
Deposited 2015-04-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
223–583(361 aa)
Fragment:CATALYTIC DOMAIN, UNP RESIDUES 223-583
|
Not recorded
|
FSU 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
277 K;25% PEG4000, 0.2M MAGNESIUM CHLORIDE, 0.1 M TRIS PH 8.5, 277K
|
Resolution 1.65 Å
R-free 0.244
|
|
4ZZY
Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor
Deposited 2015-04-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
223–583(361 aa)
Fragment:CATALYTIC DOMAIN, UNP RESIDUES 223-583
|
Not recorded
|
D7N 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
25% PEG4000, 0.2M MAGNESIUM CLORIDE, 0.1 M TRIS PH 8.5
|
Resolution 2.20 Å
R-free 0.280
|
|
5D5K
Crystal Structure NLS from human PARP-2 complexed with Importin alpha delta IBB
Deposited 2015-08-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
1–78(78 aa)
Fragment:unp residues 1-78
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;0.6-0.7M sodium citrate, 0.1M sodium citrate buffer pH 5.6, and 7-10mM DTT
|
Resolution 1.90 Å
R-free 0.171
|
|
5DSY
Crystal structure of constitutively active PARP-2
Deposited 2015-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
348–583(236 aa)
Fragment:unp residues 348-583
|
Not recorded
|
UHB 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;298 K;2.55-2.65 M NaCl and 0.1 M Tris
|
Resolution 2.70 Å
R-free 0.248
|
|
5DSY
Crystal structure of constitutively active PARP-2
Deposited 2015-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
348–583(236 aa)
Fragment:unp residues 348-583
|
Not recorded
|
UHB 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;298 K;2.55-2.65 M NaCl and 0.1 M Tris
|
Resolution 2.70 Å
R-free 0.248
|
|
5DSY
Crystal structure of constitutively active PARP-2
Deposited 2015-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
348–583(236 aa)
Fragment:unp residues 348-583
|
Not recorded
|
UHB 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;298 K;2.55-2.65 M NaCl and 0.1 M Tris
|
Resolution 2.70 Å
R-free 0.248
|
|
5DSY
Crystal structure of constitutively active PARP-2
Deposited 2015-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
348–583(236 aa)
Fragment:unp residues 348-583
|
Not recorded
|
UHB 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;298 K;2.55-2.65 M NaCl and 0.1 M Tris
|
Resolution 2.70 Å
R-free 0.248
|
|
6F1K
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA without 5'phosphate
Deposited 2017-11-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Monomer;Protein × 1
PDB declaration: trimeric
|
Chain A
90–218(129 aa)
|
Not recorded
|
GOL GLYCEROL × 1
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 4.9;277 K;PEG MME 5000
0.1 M Na-acetate
ethylene glyco
|
Resolution 2.20 Å
R-free 0.250
|
|
6F5B
Structure of ARTD2/PARP2 WGR domain bound to double stranded DNA with 5'phosphate
Deposited 2017-12-01
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Homooligomer;Protein × 2
PDB declaration: hexameric
|
Chain A
90–218(129 aa)
Chain B
90–218(129 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 4.5;277 K;12 % v/v Polypropylene glycol 400
0.1 M Na-acetate
3 % 2 propanol
|
Resolution 2.80 Å
R-free 0.274
|
|
6F5F
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA with 5 nucleotide overhang and 5'phosphate
Deposited 2017-12-01
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Homooligomer;Protein × 2
PDB declaration: tetrameric
|
Chain A
90–218(129 aa)
Chain C
90–218(129 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.2 M Na-formate
20 % PEG 3350
20 % glycerol
|
Resolution 2.98 Å
R-free 0.275
|
|
6F5F
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA with 5 nucleotide overhang and 5'phosphate
Deposited 2017-12-01
|
Different construct
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein–DNA
Homooligomer;Protein × 2
PDB declaration: tetrameric
|
Chain B
90–218(129 aa)
Chain D
90–218(129 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;0.2 M Na-formate
20 % PEG 3350
20 % glycerol
|
Resolution 2.98 Å
R-free 0.275
|
|
6TX3
HPF1 bound to catalytic fragment of PARP2
Deposited 2020-01-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
230–253(24 aa)
Chain B
348–583(236 aa)
|
Not recorded
|
UHB 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;0.1 M MES pH 6, 25% v/v pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 2.96 Å
R-free 0.260
|
|
6USJ
Structure of two nucleosomes bridged by human PARP2
Deposited 2019-10-27
|
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 18
PDB declaration: 22-meric
|
Chain U
1–570(570 aa)
Chain V
1–570(570 aa)
|
Mutation:Q112R, F113D
Mutation:Q112R, F113D
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5;Buffer was pH-adjusted and filtered through a 0.22 um filter.
cryo-EM vitrification conditions
Cryogen ETHANE;Blot time 2s, blot force 0
|
Resolution 10.50 Å
|
|
6X0L
Bridging of double-strand DNA break activates PARP2/HPF1 to modify chromatin
Deposited 2020-05-16
|
Different oligomeric state
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 3
PDB declaration: heptameric
|
Chain P
1–570(570 aa)
Chain R
1–570(570 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å
|
|
6X0N
Bridging of double-strand DNA break activates PARP2/HPF1 to modify chromatin
Deposited 2020-05-16
|
Different oligomeric state
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 19
PDB declaration: 23-meric
|
Chain P
1–570(570 aa)
Chain R
1–570(570 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 10.00 Å
|
|
7AEO
Human ARTD2 in complex with DNA oligonucleotides
Deposited 2020-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Homooligomer;Protein × 2
PDB declaration: hexameric
|
Chain A
90–583(494 aa)
|
Not recorded
|
SO4 SULFATE ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;Sample was crystallized in 0.1 M MES pH 6.5 and 1 M ammonium sulfate.
Cryo solution was a mixture of 10% (v/v) glycerol, 10% (v/v) diethylene glycol, and 10% (v/v) 2-propanol with the crystallization conditions
|
Resolution 2.80 Å
R-free 0.271
|
|
7R59
PARP2 catalytic domain in complex with OUL245
Deposited 2022-02-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
235–583(349 aa)
|
Not recorded
|
GOL GLYCEROL × 1
I5F [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;100 mM Tris pH 9.5 and 20% PEG 3350
|
Resolution 2.00 Å
R-free 0.238
|
|
8HE8
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Deposited 2022-11-07
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
231–581(351 aa)
|
Not recorded
|
GOL GLYCEROL × 1
1WI 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.3-8.5
|
Resolution 3.05 Å
R-free 0.256
|
|
8HE8
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Deposited 2022-11-07
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
231–581(351 aa)
|
Not recorded
|
GOL GLYCEROL × 1
1WI 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.3-8.5
|
Resolution 3.05 Å
R-free 0.256
|
|
8HE8
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Deposited 2022-11-07
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
231–581(351 aa)
|
Not recorded
|
1WI 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.3-8.5
|
Resolution 3.05 Å
R-free 0.256
|
|
8HKN
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
Deposited 2022-11-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 1
25I Fluzoparib × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.50 Å
R-free 0.261
|
|
8HKN
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
Deposited 2022-11-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 1
25I Fluzoparib × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.50 Å
R-free 0.261
|
|
8HKO
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Rucaparib
Deposited 2022-11-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 5
RPB Rucaparib × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.10 Å
R-free 0.211
|
|
8HKO
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Rucaparib
Deposited 2022-11-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 1
RPB Rucaparib × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.10 Å
R-free 0.211
|
|
8HKS
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290)
Deposited 2022-11-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 2
DS9 (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.80 Å
R-free 0.238
|
|
8HKS
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290)
Deposited 2022-11-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 5
DS9 (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.80 Å
R-free 0.238
|
|
8HKS
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290)
Deposited 2022-11-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 2
DS9 (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.80 Å
R-free 0.238
|
|
8HKS
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Pamiparib(BGB-290)
Deposited 2022-11-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 3
DS9 (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.80 Å
R-free 0.238
|
|
8HLJ
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
Deposited 2022-11-30
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
09L 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;296.5 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.24 Å
R-free 0.247
|
|
8HLJ
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
Deposited 2022-11-30
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
09L 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;296.5 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.24 Å
R-free 0.247
|
|
8HLQ
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827)
Deposited 2022-11-30
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 1
3JD 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.70 Å
R-free 0.282
|
|
8HLQ
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827)
Deposited 2022-11-30
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 2
3JD 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.70 Å
R-free 0.282
|
|
8JNY
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
Deposited 2023-06-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
ERV 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 3.20 Å
R-free 0.268
|
|
8JNY
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
Deposited 2023-06-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
ERV 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 3.20 Å
R-free 0.268
|
|
9IM8
Mutated ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrimidine 2,4-diketone derivative inhibitor
Deposited 2024-07-02
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
GOL GLYCEROL × 1
A1D9M 5-ethyl-1-[[3-[(3~{R})-4-ethyl-3-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]pyrimidine-2,4-dione × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.10 Å
R-free 0.241
|
|
9IM8
Mutated ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrimidine 2,4-diketone derivative inhibitor
Deposited 2024-07-02
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
230–581(352 aa)
|
Mutation:T349S,L351R,S353G,P354L
|
A1D9M 5-ethyl-1-[[3-[(3~{R})-4-ethyl-3-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]pyrimidine-2,4-dione × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;25% PEG-3350, 0.1 M Tris-HCl pH 8.5
|
Resolution 2.10 Å
R-free 0.241
|
|
9ZQ9
Nucleosome with an SSB at SHL -2.8 in complex with the WGR domain of human PARP2, Class 1
Deposited 2025-12-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 11
PDB declaration: 14-meric
|
Chain P
90–212(123 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å
|
|
9ZQA
Nucleosome with an SSB at SHL -2.8 in complex with the WGR domain of human PARP2, Class 2
Deposited 2025-12-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 11
PDB declaration: 14-meric
|
Chain P
90–212(123 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.28 Å
|
|
9ZQB
Nucleosome with an SSB at SHL -2.8 in complex with human PARP2 and HPF1, Class 1
Deposited 2025-12-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 11
PDB declaration: 14-meric
|
Chain P
90–583(494 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.10 Å
|
|
9ZQC
Nucleosome with an SSB at SHL -2.8 in complex with human PARP2 and HPF1, Class 2
Deposited 2025-12-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 11
PDB declaration: 14-meric
|
Chain P
90–583(494 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.37 Å
|