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Protein Structures and Oligomeric States

Enter a protein name, UniProt accession or PDB ID. Name searches ask you to confirm the protein identity before related structures are queried.

Current Protein Identity：Q92769 New Search
48PDB entries
123Biological assembly
131chain/assembly records
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics

Difference tags compare only the current result set; every original PDB and assembly record remains separate.

Related-Structure Differences

Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.

PDB Entry Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Experimental Method Experimental Conditions Structure Quality
3MAX Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide Deposited 2010-03-24 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 9–374（366 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 LLX N-(4-aminobiphenyl-3-yl)benzamide × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；298 K；40% (v/v) PEG-600, 0.1 mM CHES, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.05 Å R-free 0.204
3MAX Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide Deposited 2010-03-24 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 9–374（366 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 LLX N-(4-aminobiphenyl-3-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；298 K；40% (v/v) PEG-600, 0.1 mM CHES, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.05 Å R-free 0.204
3MAX Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide Deposited 2010-03-24 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 9–374（366 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 LLX N-(4-aminobiphenyl-3-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；298 K；40% (v/v) PEG-600, 0.1 mM CHES, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.05 Å R-free 0.204
4LXZ Structure of Human HDAC2 in complex with SAHA (vorinostat) Deposited 2013-07-30 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 8–376（369 aa） Fragment：core domain (UNP residues 8-376)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 3 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；0.1M CHES, pH 9.5, 40% PEG-600, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.85 Å R-free 0.192
4LXZ Structure of Human HDAC2 in complex with SAHA (vorinostat) Deposited 2013-07-30 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 8–376（369 aa） Fragment：core domain (UNP residues 8-376)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 3 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；0.1M CHES, pH 9.5, 40% PEG-600, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.85 Å R-free 0.192
4LXZ Structure of Human HDAC2 in complex with SAHA (vorinostat) Deposited 2013-07-30 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 8–376（369 aa） Fragment：core domain (UNP residues 8-376)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 2 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；0.1M CHES, pH 9.5, 40% PEG-600, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.85 Å R-free 0.192
4LY1 Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide Deposited 2013-07-30 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 8–376（369 aa） Fragment：core domain (UNP residues 8-376)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 3 20Y 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；0.1M CHES, pH 9.5, 40% PEG-600, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.57 Å R-free 0.187
4LY1 Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide Deposited 2013-07-30 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 8–376（369 aa） Fragment：core domain (UNP residues 8-376)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 3 20Y 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；0.1M CHES, pH 9.5, 40% PEG-600, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.57 Å R-free 0.187
4LY1 Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide Deposited 2013-07-30 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 8–376（369 aa） Fragment：core domain (UNP residues 8-376)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 2 20Y 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；0.1M CHES, pH 9.5, 40% PEG-600, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.57 Å R-free 0.187
5IWG HDAC2 WITH LIGAND BRD4884 Deposited 2016-03-22 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 8–375（368 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 IWX N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide × 1 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG 400, potassium phosphate
Resolution 1.66 Å R-free 0.208
5IWG HDAC2 WITH LIGAND BRD4884 Deposited 2016-03-22 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 8–375（368 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 IWX N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 3 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG 400, potassium phosphate
Resolution 1.66 Å R-free 0.208
5IWG HDAC2 WITH LIGAND BRD4884 Deposited 2016-03-22 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 8–375（368 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 IWX N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG 400, potassium phosphate
Resolution 1.66 Å R-free 0.208
5IX0 HDAC2 WITH LIGAND BRD7232 Deposited 2016-03-23 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 7–375（369 aa） Fragment：UNP residues 7-375
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 6EZ (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 2 PG4 TETRAETHYLENE GLYCOL × 1 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PEG 400, potassium phosphate
Resolution 1.72 Å R-free 0.200
5IX0 HDAC2 WITH LIGAND BRD7232 Deposited 2016-03-23 Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain A 7–375（369 aa） Fragment：UNP residues 7-375
Chain B 7–375（369 aa） Fragment：UNP residues 7-375
Chain C 7–375（369 aa） Fragment：UNP residues 7-375
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 6 6EZ (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide × 3 PEG DI(HYDROXYETHYL)ETHER × 5 PG4 TETRAETHYLENE GLYCOL × 2 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 3 PGE TRIETHYLENE GLYCOL × 9 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PEG 400, potassium phosphate
Resolution 1.72 Å R-free 0.200
5IX0 HDAC2 WITH LIGAND BRD7232 Deposited 2016-03-23 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 7–375（369 aa） Fragment：UNP residues 7-375
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 6EZ (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 2 PG5 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE × 2 PGE TRIETHYLENE GLYCOL × 5 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PEG 400, potassium phosphate
Resolution 1.72 Å R-free 0.200
5IX0 HDAC2 WITH LIGAND BRD7232 Deposited 2016-03-23 Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 7–375（369 aa） Fragment：UNP residues 7-375
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 6EZ (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；PEG 400, potassium phosphate
Resolution 1.72 Å R-free 0.200
6G3O Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide Deposited 2018-03-26 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 7–376（370 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 EL8 (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M TRIS, pH 9.15, 54 %(w/v) PEG 400
Resolution 2.27 Å R-free 0.219
6G3O Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide Deposited 2018-03-26 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 7–376（370 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 EL8 (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide × 1 1PE PENTAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M TRIS, pH 9.15, 54 %(w/v) PEG 400
Resolution 2.27 Å R-free 0.219
6G3O Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide Deposited 2018-03-26 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 7–376（370 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 EL8 (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M TRIS, pH 9.15, 54 %(w/v) PEG 400
Resolution 2.27 Å R-free 0.219
6WBW Structure of Human HDAC2 in complex with an ethyl ketone inhibitor Deposited 2020-03-27 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded TV1 N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide × 1 ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.46 Å R-free 0.197
6WBW Structure of Human HDAC2 in complex with an ethyl ketone inhibitor Deposited 2020-03-27 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded TV1 N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide × 1 ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.46 Å R-free 0.197
6WBW Structure of Human HDAC2 in complex with an ethyl ketone inhibitor Deposited 2020-03-27 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded TV1 N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide × 1 ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.46 Å R-free 0.197
6WBZ Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group Deposited 2020-03-28 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 TV7 (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.32 Å R-free 0.192
6WBZ Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group Deposited 2020-03-28 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 TV7 (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.32 Å R-free 0.192
6WBZ Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group Deposited 2020-03-28 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 TV7 (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.32 Å R-free 0.192
6WHN Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 3 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 1.54 Å R-free 0.192
6WHN Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain B 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 1.54 Å R-free 0.192
6WHN Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain C 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 1.54 Å R-free 0.192
6WHO Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 2 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40 % PEG600 and 100mM CHES pH 9.5
Resolution 2.20 Å R-free 0.221
6WHO Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain B 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PG4 TETRAETHYLENE GLYCOL × 3 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40 % PEG600 and 100mM CHES pH 9.5
Resolution 2.20 Å R-free 0.221
6WHO Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain C 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40 % PEG600 and 100mM CHES pH 9.5
Resolution 2.20 Å R-free 0.221
6WHQ Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 PGE TRIETHYLENE GLYCOL × 2 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.35 Å R-free 0.241
6WHQ Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain B 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.35 Å R-free 0.241
6WHQ Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain C 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.35 Å R-free 0.241
6WHZ Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.90 Å R-free 0.281
6WHZ Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain B 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.90 Å R-free 0.281
6WHZ Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain C 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.90 Å R-free 0.281
6WI3 Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.35 Å R-free 0.254
6WI3 Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain B 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.35 Å R-free 0.254
6WI3 Histone deacetylases complex with peptide macrocycles Deposited 2020-04-08 Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain C 2–385（384 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；40% (v/v) PEG600 and 100mM CHES pH 9.5
Resolution 2.35 Å R-free 0.254
6XDM STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR Deposited 2020-06-11 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 3 V1D N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.56 Å R-free 0.189
6XDM STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR Deposited 2020-06-11 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1D N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.56 Å R-free 0.189
6XDM STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR Deposited 2020-06-11 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 V1D N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.56 Å R-free 0.189
6XEB STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) Deposited 2020-06-12 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 V1P 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.50 Å R-free 0.193
6XEB STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) Deposited 2020-06-12 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1P 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.50 Å R-free 0.193
6XEB STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) Deposited 2020-06-12 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1P 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.50 Å R-free 0.193
6XEC STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O) Deposited 2020-06-12 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 V1S (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.70 Å R-free 0.203
6XEC STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O) Deposited 2020-06-12 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1S (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.70 Å R-free 0.203
6XEC STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O) Deposited 2020-06-12 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1S (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.70 Å R-free 0.203
7JS8 STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) Deposited 2020-08-14 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 VJV (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.63 Å R-free 0.190
7JS8 STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) Deposited 2020-08-14 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 VJV (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.63 Å R-free 0.190
7JS8 STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) Deposited 2020-08-14 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 VJV (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.63 Å R-free 0.190
7KBG Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20) Deposited 2020-10-02 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 3 WBA N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5
Resolution 1.26 Å R-free 0.196
7KBG Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20) Deposited 2020-10-02 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 2 WBA N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5
Resolution 1.26 Å R-free 0.196
7KBG Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20) Deposited 2020-10-02 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 WBA N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 WBD 2,5-dichloro-1H-benzimidazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5
Resolution 1.26 Å R-free 0.196
7KBH Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16) Deposited 2020-10-02 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 WB4 N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 2.68 Å R-free 0.221
7KBH Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16) Deposited 2020-10-02 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 WB4 N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 2.68 Å R-free 0.221
7KBH Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16) Deposited 2020-10-02 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 WB4 N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 2.68 Å R-free 0.221
7LTG STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN Deposited 2021-02-19 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 YED (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.80 Å R-free 0.198
7LTG STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN Deposited 2021-02-19 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 5 YED (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.80 Å R-free 0.198
7LTG STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN Deposited 2021-02-19 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 YED (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.80 Å R-free 0.198
7LTK STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR THAT LACKS A ZINC BINDING GROUP (COMPOUND 12) Deposited 2021-02-19 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 YEM N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.59 Å R-free 0.198
7LTK STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR THAT LACKS A ZINC BINDING GROUP (COMPOUND 12) Deposited 2021-02-19 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 YEM N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.59 Å R-free 0.198
7LTK STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR THAT LACKS A ZINC BINDING GROUP (COMPOUND 12) Deposited 2021-02-19 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 YEM N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.59 Å R-free 0.198
7LTL STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR LACKING A ZINC BINDING GROUP (COMPOUND 19) Deposited 2021-02-19 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 YEV (2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.49 Å R-free 0.195
7LTL STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR LACKING A ZINC BINDING GROUP (COMPOUND 19) Deposited 2021-02-19 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 3 CA CALCIUM ION × 2 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 YEV (2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.49 Å R-free 0.195
7LTL STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR LACKING A ZINC BINDING GROUP (COMPOUND 19) Deposited 2021-02-19 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 5 CA CALCIUM ION × 2 ACT ACETATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 YEV (2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.49 Å R-free 0.195
7MOS Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) Deposited 2021-05-03 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 5 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 ZLV (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.70 Å R-free 0.208
7MOS Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) Deposited 2021-05-03 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZLV (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.70 Å R-free 0.208
7MOS Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) Deposited 2021-05-03 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZLV (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.70 Å R-free 0.208
7MOT Structure of HDAC2 in complex with an inhibitor (compound 9) Deposited 2021-05-03 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 V1P 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.54 Å R-free 0.203
7MOT Structure of HDAC2 in complex with an inhibitor (compound 9) Deposited 2021-05-03 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1P 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.54 Å R-free 0.203
7MOT Structure of HDAC2 in complex with an inhibitor (compound 9) Deposited 2021-05-03 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 V1P 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.54 Å R-free 0.203
7MOX Structure of HDAC2 in complex with an inhibitor (compound 14) Deposited 2021-05-03 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 ZLS (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.69 Å R-free 0.202
7MOX Structure of HDAC2 in complex with an inhibitor (compound 14) Deposited 2021-05-03 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZLS (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.69 Å R-free 0.202
7MOX Structure of HDAC2 in complex with an inhibitor (compound 14) Deposited 2021-05-03 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZLS (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.69 Å R-free 0.202
7MOY Structure of HDAC2 in complex with an inhibitor (compound 19) Deposited 2021-05-03 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 ZLM (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.78 Å R-free 0.208
7MOY Structure of HDAC2 in complex with an inhibitor (compound 19) Deposited 2021-05-03 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZLM (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.78 Å R-free 0.208
7MOY Structure of HDAC2 in complex with an inhibitor (compound 19) Deposited 2021-05-03 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZLM (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.78 Å R-free 0.208
7MOZ Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) Deposited 2021-05-03 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 ZL4 (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.54 Å R-free 0.201
7MOZ Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) Deposited 2021-05-03 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZL4 (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.54 Å R-free 0.201
7MOZ Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) Deposited 2021-05-03 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–376（376 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 4 CA CALCIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 ZL4 (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5
Resolution 1.54 Å R-free 0.201
7ZZO HDAC2 in complex with an inhibitor Deposited 2022-05-25 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KIZ [(2~{R})-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；38% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 2.00 Å R-free 0.225
7ZZO HDAC2 in complex with an inhibitor Deposited 2022-05-25 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KIZ [(2~{R})-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]azanium × 1 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；38% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 2.00 Å R-free 0.225
7ZZO HDAC2 in complex with an inhibitor Deposited 2022-05-25 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KIZ [(2~{R})-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]azanium × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；38% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 2.00 Å R-free 0.225
7ZZP Structure of HDAC2 complexed with an inhibitory ligand Deposited 2022-05-25 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 6 KJ6 6-methyl-4-oxidanyl-pyran-2-one × 1 2OP (2S)-2-HYDROXYPROPANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；39% PEG 300 0.1M pH=8.4 CHES/NaOH
Resolution 1.52 Å R-free 0.174
7ZZP Structure of HDAC2 complexed with an inhibitory ligand Deposited 2022-05-25 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PGE TRIETHYLENE GLYCOL × 3 EDO 1,2-ETHANEDIOL × 1 KJ6 6-methyl-4-oxidanyl-pyran-2-one × 2 2OP (2S)-2-HYDROXYPROPANOIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；39% PEG 300 0.1M pH=8.4 CHES/NaOH
Resolution 1.52 Å R-free 0.174
7ZZP Structure of HDAC2 complexed with an inhibitory ligand Deposited 2022-05-25 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 KJ6 6-methyl-4-oxidanyl-pyran-2-one × 1 2OP (2S)-2-HYDROXYPROPANOIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；39% PEG 300 0.1M pH=8.4 CHES/NaOH
Resolution 1.52 Å R-free 0.174
7ZZR HDAC2 in complex with inhibitory ligand Deposited 2022-05-26 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 4 KJN [(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 2.17 Å R-free 0.247
7ZZR HDAC2 in complex with inhibitory ligand Deposited 2022-05-26 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 KJN [(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 2.17 Å R-free 0.247
7ZZR HDAC2 in complex with inhibitory ligand Deposited 2022-05-26 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 3 KJN [(2~{R})-1-(dimethylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]azanium × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 2.17 Å R-free 0.247
7ZZS HDAC2 complexed with an inhibitory ligand Deposited 2022-05-26 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 EDO 1,2-ETHANEDIOL × 1 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 KK0 (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40% PEG 300 0.1M pH=8.6 CHES/NaOH
Resolution 1.88 Å R-free 0.207
7ZZS HDAC2 complexed with an inhibitory ligand Deposited 2022-05-26 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 5 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 KK0 (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one × 1 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40% PEG 300 0.1M pH=8.6 CHES/NaOH
Resolution 1.88 Å R-free 0.207
7ZZS HDAC2 complexed with an inhibitory ligand Deposited 2022-05-26 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 KK0 (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40% PEG 300 0.1M pH=8.6 CHES/NaOH
Resolution 1.88 Å R-free 0.207
7ZZT Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1 KJF [(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40% PEG 300 0.1M pH=8.6 CHES/NaOH
Resolution 1.56 Å R-free 0.173
7ZZT Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 KJF [(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40% PEG 300 0.1M pH=8.6 CHES/NaOH
Resolution 1.56 Å R-free 0.173
7ZZT Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KJF [(2~{R})-1-oxidanylidene-4-phenyl-1-pyrrolidin-1-yl-butan-2-yl]azanium × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40% PEG 300 0.1M pH=8.6 CHES/NaOH
Resolution 1.56 Å R-free 0.173
7ZZU Inhibitory Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded EDO 1,2-ETHANEDIOL × 5 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KKI 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；43% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 1.85 Å R-free 0.182
7ZZU Inhibitory Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 PG4 TETRAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KKI 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；43% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 1.85 Å R-free 0.182
7ZZU Inhibitory Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KKI 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；43% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 1.85 Å R-free 0.182
7ZZW Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 3 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KKW [(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone × 1 KZF 2-(cyclohexylazaniumyl)ethanesulfonate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 1.73 Å R-free 0.189
7ZZW Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KKW [(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 1.73 Å R-free 0.189
7ZZW Ligand binding to HDAC2 Deposited 2022-05-26 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 KKW [(2~{R},4~{S})-4-(3-chlorophenyl)pyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 0.1M pH=8.8 CHES/NaOH
Resolution 1.73 Å R-free 0.189
8A0B Inhibitor binding to HDAC2 Deposited 2022-05-27 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 KRU 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 .1M pH=8.8 CHES/NaOH
Resolution 1.75 Å R-free 0.188
8A0B Inhibitor binding to HDAC2 Deposited 2022-05-27 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 3 KRU 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone × 1 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 .1M pH=8.8 CHES/NaOH
Resolution 1.75 Å R-free 0.188
8A0B Inhibitor binding to HDAC2 Deposited 2022-05-27 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–488（488 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 KRU 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；41% PEG 300 .1M pH=8.8 CHES/NaOH
Resolution 1.75 Å R-free 0.188
8BPA Cryo-EM structure of the human SIN3B histone deacetylase complex at 3.7 Angstrom Deposited 2022-11-16 Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 5 CA CALCIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.70 Å
8BPB Cryo-EM structure of the human SIN3B histone deacetylase core complex at 2.8 Angstrom Deposited 2022-11-16 Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 2 ACT ACETATE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8BPC Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom Deposited 2022-11-16 Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 ZN ZINC ION × 3 CA CALCIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8C60 Cryo-EM structure of the human SIN3B full-length complex at 3.4 Angstrom resolution Deposited 2023-01-10 Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 5 CA CALCIUM ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9DTQ The structure of HDAC2-CoREST in complex with KBTBD4R313PRR mutant Deposited 2024-10-01 Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 2–488（487 aa）
Not recorded IHP INOSITOL HEXAKISPHOSPHATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.87 Å
9GGL Cryo-EM structure of KBTBD4 WT-HDAC2 2:1 complex mediated by molecular glue UM171 Deposited 2024-08-13 Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded ZN ZINC ION × 1 A1ACV (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.13 Å
9GGM Cryo-EM structure of KBTBD4 P313PRR mutant-HDAC2 2:2 complex Deposited 2024-08-13 Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain B 1–488（488 aa）
Chain D 1–488（488 aa）
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.71 Å
9GGN Cryo-EM structure of KBTBD4 WT-HDAC2 2:2 complex mediated by molecular glue UM171 Deposited 2024-08-13 Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain B 1–488（488 aa）
Chain D 1–488（488 aa）
Not recorded A1ACV (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine × 2 ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.90 Å
9I2C Cryo-EM structure of KBTBD4 WT-HDAC2-CoREST1 2:1:1 complex mediated by molecular glue UM171 Deposited 2025-01-20 Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain B 1–488（488 aa）
Not recorded A1ACV (1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine × 1 ZN ZINC ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
9JV3 Structure of Human HDAC2 Deposited 2024-10-08 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–404（404 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M CHES pH 9.5, 35-38% (v/v) PEG 600
Resolution 2.57 Å R-free 0.256
9JV3 Structure of Human HDAC2 Deposited 2024-10-08 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–404（404 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M CHES pH 9.5, 35-38% (v/v) PEG 600
Resolution 2.57 Å R-free 0.256
9JV3 Structure of Human HDAC2 Deposited 2024-10-08 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–404（404 aa）
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M CHES pH 9.5, 35-38% (v/v) PEG 600
Resolution 2.57 Å R-free 0.256
9JWJ Structure of Human HDAC2 in complex with inhibitor N-(2-amino-5-(furan-2-yl)phenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamid Deposited 2024-10-10 Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain A 1–404（404 aa）
Chain B 1–404（404 aa）
Chain C 1–404（404 aa）
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 6 A1L4X N-(2-amino-5-(furan-2-yl)phenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamid × 3 EDO 1,2-ETHANEDIOL × 9 PEG DI(HYDROXYETHYL)ETHER × 5 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.1 M CHES pH 9.5, 35-38% (v/v) PEG 600
Resolution 1.78 Å R-free 0.202
9K0G Structure of Human HDAC2 in complex with inhibitor N-(2-aminophenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamide Deposited 2024-10-15 Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain A 1–404（404 aa）
Chain B 1–404（404 aa）
Chain C 1–404（404 aa）
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 6 A1L47 N-(2-aminophenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamide × 3 EDO 1,2-ETHANEDIOL × 8 PEG DI(HYDROXYETHYL)ETHER × 5 PGE TRIETHYLENE GLYCOL × 1 GOL GLYCEROL × 1 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.1 M CHES pH 9.5, 35-38% (v/v) PEG 600)
Resolution 1.62 Å R-free 0.196
9NTB Crystal structure of human HDAC2 in complex with TNG260 Deposited 2025-03-18 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 1–404（404 aa）
Not recorded A1B1V (R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide × 1 ZN ZINC ION × 1 CA CALCIUM ION × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 11 PEG DI(HYDROXYETHYL)ETHER × 4 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；35% PEG 600, 100 mM CHES pH 9.0
Resolution 1.80 Å R-free 0.197
9NTB Crystal structure of human HDAC2 in complex with TNG260 Deposited 2025-03-18 Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain B 1–404（404 aa）
Not recorded A1B1V (R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide × 1 ZN ZINC ION × 1 CA CALCIUM ION × 2 NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 6 PEG DI(HYDROXYETHYL)ETHER × 5 PG4 TETRAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；35% PEG 600, 100 mM CHES pH 9.0
Resolution 1.80 Å R-free 0.197
9NTB Crystal structure of human HDAC2 in complex with TNG260 Deposited 2025-03-18 Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain C 1–404（404 aa）
Not recorded A1B1V (R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide × 1 ZN ZINC ION × 1 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 5 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；35% PEG 600, 100 mM CHES pH 9.0
Resolution 1.80 Å R-free 0.197

This page presents structural evidence recorded in PDB/mmCIF.“No recorded non-water small molecule” does not prove that the experimental sample was ligand-free; experimental conditions belong to the PDB experiment, while ligands and copy counts are shown for each biological assembly.