Cyclin-A2
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count | Chain A； UniProt 1–432 | Not recorded | Cyclin-dependent kinase 2 × 1 （P24941） SCAPER × 1 | ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE | Resolution 2.90 Å |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 9HJ1 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1E9H Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound Deposited 2000-10-16 | 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
175–432（258 aa）
|
Not recorded | INR 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.50 Å R-free 0.273 |
| 1E9H Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound Deposited 2000-10-16 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | INR 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.50 Å R-free 0.273 |
| 1FIN CYCLIN A-CYCLIN-DEPENDENT KINASE 2 COMPLEX Deposited 1996-07-14 | 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
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 1FIN CYCLIN A-CYCLIN-DEPENDENT KINASE 2 COMPLEX Deposited 1996-07-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 1FVV THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR Deposited 2000-09-20 | 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
173–432（260 aa）
|
Not recorded | 107 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.260 |
| 1FVV THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR Deposited 2000-09-20 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
|
Not recorded | 107 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.260 |
| 1GY3 pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate Deposited 2002-04-19 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 NO3 NITRATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；CRYSTALS WERE GROWN BY VAPOUR DIFFUSION AT 4C FROM SOLUTIONS CONTAINING 10 MG/ML PCDK2/CYCLIN A, 100 MM HEPES PH7.0, 2 MM SUBSTRATE PEPTIDE, 1MM ADP, 1.0 M LI2SO4. CRYSTALS WERE TRANSFERRED TO 20%PEG 8K, 100 MM HEPES PH 7.0, 10 MM SUBSSTRATE PEPTIDE, 5 MM MG(NO3)2
|
Resolution 2.70 Å R-free 0.313 |
| 1GY3 pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate Deposited 2002-04-19 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 NO3 NITRATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；CRYSTALS WERE GROWN BY VAPOUR DIFFUSION AT 4C FROM SOLUTIONS CONTAINING 10 MG/ML PCDK2/CYCLIN A, 100 MM HEPES PH7.0, 2 MM SUBSTRATE PEPTIDE, 1MM ADP, 1.0 M LI2SO4. CRYSTALS WERE TRANSFERRED TO 20%PEG 8K, 100 MM HEPES PH 7.0, 10 MM SUBSSTRATE PEPTIDE, 5 MM MG(NO3)2
|
Resolution 2.70 Å R-free 0.313 |
| 1H1P Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 Deposited 2002-07-21 | 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
175–432（258 aa）
|
Not recorded | CMG 6-O-CYCLOHEXYLMETHYL GUANINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.10 Å R-free 0.258 |
| 1H1P Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 Deposited 2002-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | CMG 6-O-CYCLOHEXYLMETHYL GUANINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.10 Å R-free 0.258 |
| 1H1Q Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 Deposited 2002-07-21 | 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
175–432（258 aa）
|
Not recorded | 2A6 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.50 Å R-free 0.332 |
| 1H1Q Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 Deposited 2002-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | 2A6 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.50 Å R-free 0.332 |
| 1H1R Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 Deposited 2002-07-21 | 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
175–432（258 aa）
|
Not recorded | 6CP 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；The reservoir solution contained 0.8 M KCl and 1.2 M (NH4)2SO4 in 40 mM HEPES, pH 7.0, and 5 mM dithiothreitol (DTT)
|
Resolution 2.00 Å R-free 0.294 |
| 1H1R Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 Deposited 2002-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | 6CP 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；The reservoir solution contained 0.8 M KCl and 1.2 M (NH4)2SO4 in 40 mM HEPES, pH 7.0, and 5 mM dithiothreitol (DTT)
|
Resolution 2.00 Å R-free 0.294 |
| 1H1S Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 Deposited 2002-07-21 | 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
175–432（258 aa）
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.00 Å R-free 0.286 |
| 1H1S Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 Deposited 2002-07-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.00 Å R-free 0.286 |
| 1H24 CDK2/CyclinA in complex with a 9 residue recruitment peptide from E2F Deposited 2002-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
175–432（258 aa）
Fragment：CYCLIN FOLD FRAGMENT, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.50 Å R-free 0.270 |
| 1H24 CDK2/CyclinA in complex with a 9 residue recruitment peptide from E2F Deposited 2002-07-31 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：CYCLIN FOLD FRAGMENT, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.50 Å R-free 0.270 |
| 1H25 CDK2/Cyclin A in complex with an 11-residue recruitment peptide from retinoblastoma-associated protein Deposited 2002-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.50 Å R-free 0.266 |
| 1H25 CDK2/Cyclin A in complex with an 11-residue recruitment peptide from retinoblastoma-associated protein Deposited 2002-07-31 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.50 Å R-free 0.266 |
| 1H26 CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53 Deposited 2002-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.24 Å R-free 0.268 |
| 1H26 CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53 Deposited 2002-07-31 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.24 Å R-free 0.268 |
| 1H27 CDK2/CyclinA in complex with an 11-residue recruitment peptide from p27 Deposited 2002-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTIEN CONCENTRATION = 10MG/ML
|
Resolution 2.20 Å R-free 0.269 |
| 1H27 CDK2/CyclinA in complex with an 11-residue recruitment peptide from p27 Deposited 2002-07-31 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTIEN CONCENTRATION = 10MG/ML
|
Resolution 2.20 Å R-free 0.269 |
| 1H28 CDK2/CyclinA in complex with an 11-residue recruitment peptide from p107 Deposited 2002-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.80 Å R-free 0.323 |
| 1H28 CDK2/CyclinA in complex with an 11-residue recruitment peptide from p107 Deposited 2002-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
175–432（258 aa）
Fragment：CYCLIN FOLD, RESIDUES 175-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
Resolution 2.80 Å R-free 0.323 |
| 1JST PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A Deposited 1996-07-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
175–432（258 aa）
Fragment：RESIDUES 173-432
Chain D
175–432（258 aa）
Fragment：RESIDUES 173-432
|
Not recorded | MN MANGANESE (II) ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å |
| 1JST PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A Deposited 1996-07-03 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
175–432（258 aa）
Fragment：RESIDUES 173-432
|
Not recorded | MN MANGANESE (II) ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å |
| 1JST PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A Deposited 1996-07-03 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：RESIDUES 173-432
|
Not recorded | MN MANGANESE (II) ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å |
| 1JSU P27(KIP1)/CYCLIN A/CDK2 COMPLEX Deposited 1996-07-03 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.260 |
| 1OGU STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR Deposited 2003-05-13 | 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
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | ST8 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.60 Å R-free 0.260 |
| 1OGU STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR Deposited 2003-05-13 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | ST8 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.60 Å R-free 0.260 |
| 1OI9 Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor Deposited 2003-06-10 | 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
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | N20 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE, 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0, 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN, 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.10 Å R-free 0.276 |
| 1OI9 Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor Deposited 2003-06-10 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | N20 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE, 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0, 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN, 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.10 Å R-free 0.276 |
| 1OIU Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor Deposited 2003-06-26 | 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
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | N76 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN, 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.00 Å R-free 0.253 |
| 1OIU Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor Deposited 2003-06-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | N76 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN, 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.00 Å R-free 0.253 |
| 1OIY Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor Deposited 2003-06-26 | 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
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | N41 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE, 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0, 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN, 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.40 Å R-free 0.309 |
| 1OIY Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor Deposited 2003-06-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | N41 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.7-0.85 M POTASSIUM CHLORIDE, 1.1-1.25 M AMMONIUM SULFATE, 40 MM HEPES, PH 7.0, 5 MM DITHIOTHREITOL, 10 MG/ML PROTEIN, 8M SODIUM FORMATE CRYO-PROTECTANT
|
Resolution 2.40 Å R-free 0.309 |
| 1OKV Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2 Deposited 2003-07-30 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.40 Å R-free 0.278 |
| 1OKV Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2 Deposited 2003-07-30 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.40 Å R-free 0.278 |
| 1OKW Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 Deposited 2003-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.50 Å R-free 0.253 |
| 1OKW Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 Deposited 2003-07-31 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.50 Å R-free 0.253 |
| 1OL1 Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 Deposited 2003-08-04 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.90 Å R-free 0.284 |
| 1OL1 Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 Deposited 2003-08-04 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.90 Å R-free 0.284 |
| 1OL2 Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 Deposited 2003-08-05 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.60 Å R-free 0.290 |
| 1OL2 Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 Deposited 2003-08-05 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, PH 7.80
|
Resolution 2.60 Å R-free 0.290 |
| 1P5E The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) Deposited 2003-04-26 | 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
175–432（258 aa）
Fragment：residues 175-432
|
Not recorded | TBS 4,5,6,7-TETRABROMOBENZOTRIAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；10 mg/ml pCDK2/cyclin A, 0.5 mM TBS, 1.25 M Ammonium Sulphate, 0.85 M KCl, HEPES 100mM, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.22 Å R-free 0.257 |
| 1P5E The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS) Deposited 2003-04-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：residues 175-432
|
Not recorded | TBS 4,5,6,7-TETRABROMOBENZOTRIAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；10 mg/ml pCDK2/cyclin A, 0.5 mM TBS, 1.25 M Ammonium Sulphate, 0.85 M KCl, HEPES 100mM, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.22 Å R-free 0.257 |
| 1PKD THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A Deposited 2003-06-05 | 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
175–432（258 aa）
|
Not recorded | UCN 7-HYDROXYSTAUROSPORINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；1.25M (NH4)2SO4, 0.8M KCl, 100mM HEPES, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.268 |
| 1PKD THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A Deposited 2003-06-05 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | UCN 7-HYDROXYSTAUROSPORINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；1.25M (NH4)2SO4, 0.8M KCl, 100mM HEPES, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.268 |
| 1QMZ PHOSPHORYLATED CDK2-CYCLYIN A-SUBSTRATE PEPTIDE COMPLEX Deposited 1999-10-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain B
174–432（259 aa）
Fragment：RESIDUES 174-432
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.00
|
Resolution 2.20 Å R-free 0.280 |
| 1URC Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly Deposited 2003-10-28 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.60 Å R-free 0.254 |
| 1URC Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly Deposited 2003-10-28 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173 - 432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.60 Å R-free 0.254 |
| 1VYW Structure of CDK2/Cyclin A with PNU-292137 Deposited 2004-05-07 | 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
174–432（259 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 174-432
|
Not recorded | SO4 SULFATE ION × 1 292 N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.30 Å R-free 0.258 |
| 1VYW Structure of CDK2/Cyclin A with PNU-292137 Deposited 2004-05-07 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 174-432
|
Not recorded | SO4 SULFATE ION × 1 292 N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.30 Å R-free 0.258 |
| 2BKZ STRUCTURE OF CDK2-CYCLIN A WITH PHA-404611 Deposited 2005-02-23 | 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
174–432（259 aa）
Fragment：RESIDUES 174-432 (C-TERMINAL PORTION)
|
Not recorded | SBC 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.60 Å R-free 0.259 |
| 2BKZ STRUCTURE OF CDK2-CYCLIN A WITH PHA-404611 Deposited 2005-02-23 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432 (C-TERMINAL PORTION)
|
Not recorded | SBC 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.60 Å R-free 0.259 |
| 2BPM STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 Deposited 2005-04-21 | 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
174–432（259 aa）
Fragment：RESIDUES 174-432 (C-TERMINAL PORTION)
|
Not recorded | 529 (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.40 Å R-free 0.271 |
| 2BPM STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 Deposited 2005-04-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432 (C-TERMINAL PORTION)
|
Not recorded | 529 (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.40 Å R-free 0.271 |
| 2C4G STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 Deposited 2005-10-19 | 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
173–432（260 aa）
Fragment：RESIDUES 173-432 (C-TERMINAL PORTION)
|
Not recorded | SO4 SULFATE ION × 1 514 (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.70 Å R-free 0.250 |
| 2C4G STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 Deposited 2005-10-19 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173-432 (C-TERMINAL PORTION)
|
Not recorded | SO4 SULFATE ION × 1 514 (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.70 Å R-free 0.250 |
| 2C5N Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-10-30 | 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
174–432（259 aa）
|
Not recorded | CK8 N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.10 Å R-free 0.259 |
| 2C5N Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-10-30 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
|
Not recorded | CK8 N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.10 Å R-free 0.259 |
| 2C5O Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-10-30 | 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
173–432（260 aa）
|
Not recorded | CK2 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.10 Å R-free 0.256 |
| 2C5O Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-10-30 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
|
Not recorded | CK2 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.10 Å R-free 0.256 |
| 2C5V Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-11-02 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
174–432（259 aa）
|
Not recorded | CK4 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.90 Å R-free 0.282 |
| 2C5V Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-11-02 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
174–432（259 aa）
|
Not recorded | CK4 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.90 Å R-free 0.282 |
| 2C5X Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-11-03 | 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
174–432（259 aa）
|
Not recorded | MTW HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.90 Å R-free 0.264 |
| 2C5X Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design Deposited 2005-11-03 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
|
Not recorded | MTW HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.90 Å R-free 0.264 |
| 2C6T Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-11 | 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
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | DT5 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.61 Å R-free 0.257 |
| 2C6T Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-11 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | DT5 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.61 Å R-free 0.257 |
| 2CCH The crystal structure of CDK2 cyclin A in complex with a substrate peptide derived from CDC modified with a gamma-linked ATP analogue Deposited 2006-01-16 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：CYCLIN FOLD FRAGMENT RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；13% PEG MONOMETHYLETHER 5000, 0.2 M AMMONIUM SULPHATE, 0.1 M CITRATE/ACETATE BUFFER PH 5.6 AT 4 C
|
Resolution 1.70 Å R-free 0.182 |
| 2CCH The crystal structure of CDK2 cyclin A in complex with a substrate peptide derived from CDC modified with a gamma-linked ATP analogue Deposited 2006-01-16 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：CYCLIN FOLD FRAGMENT RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；277 K；13% PEG MONOMETHYLETHER 5000, 0.2 M AMMONIUM SULPHATE, 0.1 M CITRATE/ACETATE BUFFER PH 5.6 AT 4 C
|
Resolution 1.70 Å R-free 0.182 |
| 2CCI Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6 Deposited 2006-01-16 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；10-17% (V/V) PEG MONOMETHYLETHER 5000, 0.2 M AMMONIUM SULPHATE AND 0.1 M MES PH 5.0-6.5
|
Resolution 2.70 Å R-free 0.321 |
| 2CCI Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6 Deposited 2006-01-16 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；10-17% (V/V) PEG MONOMETHYLETHER 5000, 0.2 M AMMONIUM SULPHATE AND 0.1 M MES PH 5.0-6.5
|
Resolution 2.70 Å R-free 0.321 |
| 2CJM Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure Deposited 2006-04-05 | 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 D
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；100 MM HEPES PH 7.0, 5 MM DTT, 0.7 M KCL AND 1.20 M (NH4)2SO4
|
Resolution 2.30 Å R-free 0.265 |
| 2CJM Mechanism of CDK inhibition by active site phosphorylation: CDK2 Y15p T160p in complex with cyclin A structure Deposited 2006-04-05 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；100 MM HEPES PH 7.0, 5 MM DTT, 0.7 M KCL AND 1.20 M (NH4)2SO4
|
Resolution 2.30 Å R-free 0.265 |
| 2I40 Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor Deposited 2006-08-21 | 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
173–432（260 aa）
Fragment：residues 173-432
|
Not recorded | BLZ 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.222 |
| 2I40 Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor Deposited 2006-08-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：residues 173-432
|
Not recorded | BLZ 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.222 |
| 2IW6 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR Deposited 2006-06-26 | 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
174–432（259 aa）
Fragment：A3, RESIDUES 174-432
|
Not recorded | QQ2 [(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；THE DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND SATURATED INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT.
|
Resolution 2.30 Å R-free 0.287 |
| 2IW6 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR Deposited 2006-06-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：A3, RESIDUES 174-432
|
Not recorded | QQ2 [(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；THE DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND SATURATED INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT.
|
Resolution 2.30 Å R-free 0.287 |
| 2IW8 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR Deposited 2006-06-27 | 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
174–432（259 aa）
Fragment：A3, RESIDUES 174-432
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND 1MM INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT.
|
Resolution 2.30 Å R-free 0.255 |
| 2IW8 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR Deposited 2006-06-27 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：A3, RESIDUES 174-432
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND 1MM INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT.
|
Resolution 2.30 Å R-free 0.255 |
| 2IW9 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR Deposited 2006-06-27 | 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 D
174–432（259 aa）
Fragment：A3, RESIDUES 174-432
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；THE DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND 1MM INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT
|
Resolution 2.00 Å R-free 0.240 |
| 2IW9 STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR Deposited 2006-06-27 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
174–432（259 aa）
Fragment：A3, RESIDUES 174-432
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；THE DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND 1MM INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT
|
Resolution 2.00 Å R-free 0.240 |
| 2UUE REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors Deposited 2007-03-02 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | MTZ 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE × 1 GVC 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.06 Å R-free 0.244 |
| 2UUE REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors Deposited 2007-03-02 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | MTZ 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE × 1 GVC 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.80
|
Resolution 2.06 Å R-free 0.244 |
| 2UZB Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-27 | 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
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | C75 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.70 Å R-free 0.265 |
| 2UZB Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-27 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | C75 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.70 Å R-free 0.265 |
| 2UZD Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-27 | 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
175–432（258 aa）
Fragment：175-432
|
Not recorded | C85 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.72 Å R-free 0.269 |
| 2UZD Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-27 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：175-432
|
Not recorded | C85 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.72 Å R-free 0.269 |
| 2UZE Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-27 | 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
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | C95 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.40 Å R-free 0.243 |
| 2UZE Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-27 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | C95 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.40 Å R-free 0.243 |
| 2UZL Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-30 | 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
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | C94 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.40 Å R-free 0.263 |
| 2UZL Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-30 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：RESIDUES 175-432
|
Not recorded | C94 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；VAPOUR DIFFUSION AT 4 DEG C, 0.1 M HEPES PH 7.0, 1M LITHIUM SULPHATE
|
Resolution 2.40 Å R-free 0.263 |
| 2V22 REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors Deposited 2007-05-31 | 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
174–432（259 aa）
|
Not recorded | C35 N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.8
|
Resolution 2.60 Å R-free 0.277 |
| 2V22 REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors Deposited 2007-05-31 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
|
Not recorded | C35 N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；22% PEG 3350, 0.1M NA3-CIT, pH 7.8
|
Resolution 2.60 Å R-free 0.277 |
| 2WEV Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-04-01 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | CK7 [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；PEG3350 30% V/V, 0.1M TRI-SODIUM CITRATE, pH 7.8
|
Resolution 2.30 Å R-free 0.243 |
| 2WEV Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-04-01 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | CK7 [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；PEG3350 30% V/V, 0.1M TRI-SODIUM CITRATE, pH 7.8
|
Resolution 2.30 Å R-free 0.243 |
| 2WFY Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-04-15 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；PEG3350 30% V/V, 0.1M TRI-SODIUM CITRATE, pH 7.8
|
Resolution 2.53 Å R-free 0.259 |
| 2WFY Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-04-15 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；PEG3350 30% V/V, 0.1M TRI-SODIUM CITRATE, pH 7.8
|
Resolution 2.53 Å R-free 0.259 |
| 2WHB Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-05-03 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；18% V/V PEG3350 AND 0.1M SODIUM CITRATE, pH 7.8
|
Resolution 2.90 Å R-free 0.264 |
| 2WHB Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-05-03 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
173–432（260 aa）
Fragment：RESIDUES 173-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；18% V/V PEG3350 AND 0.1M SODIUM CITRATE, pH 7.8
|
Resolution 2.90 Å R-free 0.264 |
| 2WIH STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 Deposited 2009-05-13 | 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
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | P48 N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.50 Å R-free 0.250 |
| 2WIH STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 Deposited 2009-05-13 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | P48 N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.50 Å R-free 0.250 |
| 2WIP STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID Deposited 2009-05-14 | 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
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | P49 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.80 Å R-free 0.258 |
| 2WIP STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID Deposited 2009-05-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | P49 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH 7
|
Resolution 2.80 Å R-free 0.258 |
| 2WMA Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A Deposited 2009-06-30 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；10MM HEPES PH 7, 100MM NACL 1.1 TO 1.25M AMMONIUM SULPHATE, 0.7 TO 0.85M KCL
|
Resolution 2.80 Å R-free 0.285 |
| 2WMA Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A Deposited 2009-06-30 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；10MM HEPES PH 7, 100MM NACL 1.1 TO 1.25M AMMONIUM SULPHATE, 0.7 TO 0.85M KCL
|
Resolution 2.80 Å R-free 0.285 |
| 2WMB Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A Deposited 2009-06-30 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；BUFFER: 10MM HEPES PH 7.0, 100MM NACL. 1.1 TO 1.25M AMMONIUM SULPHATE, 0.7 TO 0.85MM KCL.
|
Resolution 2.60 Å R-free 0.296 |
| 2WMB Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A Deposited 2009-06-30 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：RESIDUES 174-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；BUFFER: 10MM HEPES PH 7.0, 100MM NACL. 1.1 TO 1.25M AMMONIUM SULPHATE, 0.7 TO 0.85MM KCL.
|
Resolution 2.60 Å R-free 0.296 |
| 2WPA Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing Deposited 2009-08-03 | 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
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | SO4 SULFATE ION × 1 889 N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE,1M KCL, 40MM HEPES PH 7
|
Resolution 2.51 Å R-free 0.261 |
| 2WPA Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing Deposited 2009-08-03 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | SO4 SULFATE ION × 1 889 N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE,1M KCL, 40MM HEPES PH 7
|
Resolution 2.51 Å R-free 0.261 |
| 2WXV Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor Deposited 2009-11-10 | 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 D
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | WXV N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH7
|
Resolution 2.60 Å R-free 0.243 |
| 2WXV Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor Deposited 2009-11-10 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
173–432（260 aa）
Fragment：C-TERMINAL PORTION, RESIDUES 173-432
|
Not recorded | WXV N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH7
|
Resolution 2.60 Å R-free 0.243 |
| 2X1N Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-12-31 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
172–432（261 aa）
Fragment：RESIDUES 172-432
|
Not recorded | X1N 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；PEG3350 20% V/V, 0.1M TRI-SODIUM CITRATE, PH 7.8
|
Resolution 2.75 Å R-free 0.255 |
| 2X1N Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-12-31 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
172–432（261 aa）
Fragment：RESIDUES 172-432
|
Not recorded | X1N 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；PEG3350 20% V/V, 0.1M TRI-SODIUM CITRATE, PH 7.8
|
Resolution 2.75 Å R-free 0.255 |
| 3EID CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor Deposited 2008-09-15 | 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
173–432（260 aa）
Fragment：UNP residues 173-432
|
Not recorded | PO5 (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.15 Å R-free 0.261 |
| 3EID CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor Deposited 2008-09-15 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：UNP residues 173-432
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.15 Å R-free 0.261 |
| 3EJ1 CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor Deposited 2008-09-17 | 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
173–432（260 aa）
Fragment：UNP residues 113-432
|
Not recorded | 5BP N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.22 Å R-free 0.259 |
| 3EJ1 CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor Deposited 2008-09-17 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：UNP residues 113-432
|
Not recorded | 5BP N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M sodium acetate, 100 mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.22 Å R-free 0.259 |
| 3EOC Cdk2/CyclinA complexed with a imidazo triazin-2-amine Deposited 2008-09-26 | 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
173–432（260 aa）
Fragment：Proteolytic fragment: Residues 173-432
|
Not recorded | T2A 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M Sodium acetate, 100 mM Sodium cacodylate pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.20 Å R-free 0.238 |
| 3EOC Cdk2/CyclinA complexed with a imidazo triazin-2-amine Deposited 2008-09-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：Proteolytic fragment: Residues 173-432
|
Not recorded | T2A 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.7；277 K；1.5 M Sodium acetate, 100 mM Sodium cacodylate pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.20 Å R-free 0.238 |
| 3F5X CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site Deposited 2008-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain B
177–432（256 aa）
Fragment：UNP residues 177-432
Chain D
177–432（256 aa）
Fragment：UNP residues 177-432
|
Not recorded | GOL GLYCEROL × 4 EZV 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline × 4 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；14% PEG 4000, 50mM Hepes pH 7.5, 50mM ammonium acetate, 10 mM DTT, vapor diffusion, temperature 291K
|
Resolution 2.40 Å R-free 0.283 |
| 3F5X CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site Deposited 2008-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
177–432（256 aa）
Fragment：UNP residues 177-432
Chain D
177–432（256 aa）
Fragment：UNP residues 177-432
|
Not recorded | GOL GLYCEROL × 2 EZV 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；14% PEG 4000, 50mM Hepes pH 7.5, 50mM ammonium acetate, 10 mM DTT, vapor diffusion, temperature 291K
|
Resolution 2.40 Å R-free 0.283 |
| 3F5X CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site Deposited 2008-11-04 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
177–432（256 aa）
Fragment：UNP residues 177-432
|
Not recorded | GOL GLYCEROL × 1 EZV 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；14% PEG 4000, 50mM Hepes pH 7.5, 50mM ammonium acetate, 10 mM DTT, vapor diffusion, temperature 291K
|
Resolution 2.40 Å R-free 0.283 |
| 3F5X CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site Deposited 2008-11-04 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
177–432（256 aa）
Fragment：UNP residues 177-432
|
Not recorded | GOL GLYCEROL × 1 EZV 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；14% PEG 4000, 50mM Hepes pH 7.5, 50mM ammonium acetate, 10 mM DTT, vapor diffusion, temperature 291K
|
Resolution 2.40 Å R-free 0.283 |
| 4BCK Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | 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
171–432（262 aa）
Fragment：RESIDUES 171-432
|
Not recorded | T3E 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND.
|
Resolution 2.05 Å R-free 0.236 |
| 4BCK Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
171–432（262 aa）
Fragment：RESIDUES 171-432
|
Not recorded | T3E 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND.
|
Resolution 2.05 Å R-free 0.236 |
| 4BCM Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | 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
171–432（262 aa）
Fragment：RESIDUES 171-432
|
Not recorded | T7Z 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, IN THE PRESENCE OF 100MM HEPES, PH 7.0, 5MM DTT AND COMPOUND
|
Resolution 2.45 Å R-free 0.258 |
| 4BCM Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
171–432（262 aa）
Fragment：RESIDUES 171-432
|
Not recorded | T7Z 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, IN THE PRESENCE OF 100MM HEPES, PH 7.0, 5MM DTT AND COMPOUND
|
Resolution 2.45 Å R-free 0.258 |
| 4BCN Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | 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 D
171–431（261 aa）
Fragment：RESIDUES 171-431
|
Not recorded | T9N 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND.
|
Resolution 2.10 Å R-free 0.219 |
| 4BCN Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
171–432（262 aa）
Fragment：RESIDUES 171-432
|
Not recorded | T9N 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND.
|
Resolution 2.10 Å R-free 0.219 |
| 4BCP Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | 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
171–432（262 aa）
Fragment：RESIDUES 171-432
|
Not recorded | T3C 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile × 1 SO4 SULFATE ION × 1 SGM MONOTHIOGLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND.
|
Resolution 2.26 Å R-free 0.217 |
| 4BCP Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
171–432（262 aa）
Fragment：RESIDUES 171-432
|
Not recorded | T3C 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile × 1 SO4 SULFATE ION × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；COCRYSTALS WERE GROWN IN 1-1.25M AMMONIUM SULFATE, 0.5-0.9M KCL, 100MM HEPES, PH 7.0, 5MM DTT AND IN THE PRESENCE OF COMPOUND.
|
Resolution 2.26 Å R-free 0.217 |
| 4CFM Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-18 | 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
175–432（258 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | 4QE 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.85 Å R-free 0.258 |
| 4CFM Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-18 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | 4QE 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.85 Å R-free 0.258 |
| 4CFN Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | 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 D
175–432（258 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | JYM 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
50 MM AMMONIUM ACETATE, 10% PEG-3350, 15 MM NACL, 100 MM HEPES, PH = 7.4, 10% DMSO
|
Resolution 2.20 Å R-free 0.241 |
| 4CFN Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
175–432（258 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | JYM 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
50 MM AMMONIUM ACETATE, 10% PEG-3350, 15 MM NACL, 100 MM HEPES, PH = 7.4, 10% DMSO
|
Resolution 2.20 Å R-free 0.241 |
| 4CFU Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | 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
172–432（261 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 172-432
|
Not recorded | 2WC 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
50 MM AMMONIUM ACETATE, 10% PEG-3350, 15 MM NACL, 100 MM HEPES, PH = 7.4, 10% DMSO
|
Resolution 2.20 Å R-free 0.221 |
| 4CFU Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
173–432（260 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 172-432
|
Not recorded | 2WC 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
50 MM AMMONIUM ACETATE, 10% PEG-3350, 15 MM NACL, 100 MM HEPES, PH = 7.4, 10% DMSO
|
Resolution 2.20 Å R-free 0.221 |
| 4CFV Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | 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 D
172–432（261 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | 75X 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol × 1 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.205 |
| 4CFV Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
172–432（261 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | 75X 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol × 1 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.205 |
| 4CFW Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | 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 D
175–432（258 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | SQ9 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.45 Å R-free 0.241 |
| 4CFW Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
175–432（258 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 175-432
|
Not recorded | SQ9 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.45 Å R-free 0.241 |
| 4CFX Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | 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 D
173–432（260 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 173-432
|
Not recorded | G6T 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
50 MM AMMONIUM ACETATE, 10% PEG-3350, 15 MM NACL, 100 MM HEPES, PH = 7.4, 10% DMSO
|
Resolution 3.50 Å R-free 0.269 |
| 4CFX Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-19 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
173–432（260 aa）
Fragment：CDK-ACTIVATING FRAGMENT, RESIDUES 173-432
|
Not recorded | G6T 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
50 MM AMMONIUM ACETATE, 10% PEG-3350, 15 MM NACL, 100 MM HEPES, PH = 7.4, 10% DMSO
|
Resolution 3.50 Å R-free 0.269 |
| 4EOI Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 DMS DIMETHYL SULFOXIDE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.234 |
| 4EOI Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.234 |
| 4EOJ Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 SGM MONOTHIOGLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.65 Å R-free 0.215 |
| 4EOJ Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.65 Å R-free 0.215 |
| 4EOK Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.57 Å R-free 0.259 |
| 4EOK Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.57 Å R-free 0.259 |
| 4EOL Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.246 |
| 4EOL Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.246 |
| 4EOM Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.243 |
| 4EOM Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.243 |
| 4EON Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.254 |
| 4EON Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.254 |
| 4EOO Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.253 |
| 4EOO Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.253 |
| 4EOP Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.99 Å R-free 0.241 |
| 4EOP Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.99 Å R-free 0.241 |
| 4EOQ Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.15 Å R-free 0.234 |
| 4EOQ Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.15 Å R-free 0.234 |
| 4EOR Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.245 |
| 4EOR Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.245 |
| 4EOS Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | 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
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.57 Å R-free 0.274 |
| 4EOS Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：C-terminal fragment
|
Not recorded | 1RO (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；ammonium sulfate, potassium chloride, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.57 Å R-free 0.274 |
| 4FX3 Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor Deposited 2012-07-02 | 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
175–432（258 aa）
Fragment：UNP RESIDUES 175-432
|
Not recorded | 60K (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；22% polyacrylic acid 5100, 0.1M HEPES, 0.02M MgCl2, vapor diffusion, sitting drop, temperature 293.15K, pH 7.5, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.75 Å R-free 0.240 |
| 4FX3 Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor Deposited 2012-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
Fragment：UNP RESIDUES 175-432
|
Not recorded | 60K (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；22% polyacrylic acid 5100, 0.1M HEPES, 0.02M MgCl2, vapor diffusion, sitting drop, temperature 293.15K, pH 7.5, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.75 Å R-free 0.240 |
| 5CYI CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) Deposited 2015-07-30 | 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
174–432（259 aa）
Fragment：UNP residues 174-432
|
Not recorded | 55S 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；Protein at 5 mg per ml.
0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES (pH 7.0)
|
Resolution 2.00 Å R-free 0.255 |
| 5CYI CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) Deposited 2015-07-30 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
Fragment：UNP residues 174-432
|
Not recorded | 55S 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；Protein at 5 mg per ml.
0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES (pH 7.0)
|
Resolution 2.00 Å R-free 0.255 |
| 5IF1 Crystal structure apo CDK2/cyclin A Deposited 2016-02-25 | Different construct 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
174–432（259 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；100mM HEPES, 5mM DTT, 0.5 mM Kcl, 875mM ammonium sulfate
|
Resolution 2.61 Å R-free 0.236 |
| 5IF1 Crystal structure apo CDK2/cyclin A Deposited 2016-02-25 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；100mM HEPES, 5mM DTT, 0.5 mM Kcl, 875mM ammonium sulfate
|
Resolution 2.61 Å R-free 0.236 |
| 5LMK Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor Deposited 2016-08-01 | 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
175–432（258 aa）
|
Not recorded | 6ZK 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide × 1 SGM MONOTHIOGLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；ammonium sulphate; potassium chloride; sodium Hepes pH7.5
|
Resolution 2.40 Å R-free 0.249 |
| 5LMK Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor Deposited 2016-08-01 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | 6ZK 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；ammonium sulphate; potassium chloride; sodium Hepes pH7.5
|
Resolution 2.40 Å R-free 0.249 |
| 5NEV CDK2/Cyclin A in complex with compound 73 Deposited 2017-03-12 | 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
174–432（259 aa）
|
Not recorded | 72L 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；PROTEIN AT 5MG PER ML. 0.6 TO 0.8M KCL, 0.9 TO 1.2M (NH402SO4, AND 100MM HEPES (PH 7.0)
|
Resolution 2.97 Å R-free 0.261 |
| 5NEV CDK2/Cyclin A in complex with compound 73 Deposited 2017-03-12 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
174–432（259 aa）
|
Not recorded | 72L 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；PROTEIN AT 5MG PER ML. 0.6 TO 0.8M KCL, 0.9 TO 1.2M (NH402SO4, AND 100MM HEPES (PH 7.0)
|
Resolution 2.97 Å R-free 0.261 |
| 6ATH Cdk2/cyclin A/p27-KID-deltaC Deposited 2017-08-29 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
173–432（260 aa）
Fragment：UNP residues 173-432
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；291.15 K；HEPES, Lithium Sulfate
|
Resolution 1.82 Å R-free 0.187 |
| 6GVA CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 Deposited 2018-06-20 | 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
175–432（258 aa）
|
Not recorded | FCQ 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine × 1 EDO 1,2-ETHANEDIOL × 3 CL CHLORIDE ION × 1 BR BROMIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 SGM MONOTHIOGLYCEROL × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；10% w/v PEG 20000, 20% v/v PEG MME 550, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, and 0.1 M bicine/Trizma base, pH 8.5
|
Resolution 2.15 Å R-free 0.240 |
| 6P3W Crystal structure of the Cyclin A-CDK2-ORC1 complex Deposited 2019-05-24 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
176–432（257 aa）
|
Not recorded | PO4 PHOSPHATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；0.49 M sodium phosphate monobasic
monohydrate and 0.91 M potassium phosphate dibasic
|
Resolution 2.54 Å R-free 0.237 |
| 6P3W Crystal structure of the Cyclin A-CDK2-ORC1 complex Deposited 2019-05-24 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain D
176–432（257 aa）
|
Not recorded | PO4 PHOSPHATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；0.49 M sodium phosphate monobasic
monohydrate and 0.91 M potassium phosphate dibasic
|
Resolution 2.54 Å R-free 0.237 |
| 6Q6G Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D1 box class Deposited 2018-12-11 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 21 PDB declaration: 21-meric |
Chain S
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8；20mM Hepes, 150mM NaCl, 0.5mM TCEP
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 6Q6H Cryo-EM structure of the APC/C-Cdc20-Cdk2-cyclinA2-Cks2 complex, the D2 box class Deposited 2018-12-11 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 21 PDB declaration: 21-meric |
Chain S
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8；20mM Hepes, 150mM NaCl, 0.5mM TCEP
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 6RIJ CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 Deposited 2019-04-24 | 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
175–432（258 aa）
|
Not recorded | K4W 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol × 1 NA SODIUM ION × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；10% w/v PEG 4000, 20% v/v glycerol, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate, and 0.1 M MES/imidazole pH 6.5
|
Resolution 2.20 Å R-free 0.238 |
| 6RIJ CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 Deposited 2019-04-24 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | K4W 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol × 1 NA SODIUM ION × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；10% w/v PEG 4000, 20% v/v glycerol, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate, and 0.1 M MES/imidazole pH 6.5
|
Resolution 2.20 Å R-free 0.238 |
| 6SG4 Structure of CDK2/cyclin A M246Q, S247EN Deposited 2019-08-02 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain B
174–432（259 aa）
Chain D
174–432（259 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；293.15 K；200 mM K/Na Tartrate, 20 % PEG 3350
|
Resolution 2.43 Å R-free 0.251 |
| 7ACK CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor Deposited 2020-09-11 | 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
175–432（258 aa）
|
Not recorded | R7B 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one × 1 EDO 1,2-ETHANEDIOL × 6 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate, 0.03 M ammonium sulfate, and 0.1 M MOPS/HEPES-Na, pH 7.5
|
Resolution 1.80 Å R-free 0.232 |
| 7ACK CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor Deposited 2020-09-11 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | R7B 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one × 1 EDO 1,2-ETHANEDIOL × 6 NA SODIUM ION × 1 NO3 NITRATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate, 0.03 M ammonium sulfate, and 0.1 M MOPS/HEPES-Na, pH 7.5
|
Resolution 1.80 Å R-free 0.232 |
| 7B5L Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27-UBE2L3~Ub~ARIH1. Transition State 1 Deposited 2020-12-04 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain Y
1–432（432 aa）
|
Not recorded | ZN ZINC ION × 9 SY8 5-azanylpentan-2-one × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 7B5R Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27 Deposited 2020-12-07 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric |
Chain Y
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 7B7S CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 Deposited 2020-12-11 | 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
175–432（258 aa）
|
Not recorded | T1T 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide × 1 NO3 NITRATE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；80% Morpheus condition 35 containing: 10% w/v PEG 4,000, 20% v/v glycerol, 0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Tris/Bicine pH 8.5 and 20% of JCSG+ condition 59 containing: 14.4 % w/v PEG 8,000, 20% v/v Glycerol, 0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5
|
Resolution 2.54 Å R-free 0.291 |
| 7B7S CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 Deposited 2020-12-11 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | T1T 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide × 1 NO3 NITRATE ION × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；80% Morpheus condition 35 containing: 10% w/v PEG 4,000, 20% v/v glycerol, 0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Tris/Bicine pH 8.5 and 20% of JCSG+ condition 59 containing: 14.4 % w/v PEG 8,000, 20% v/v Glycerol, 0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5
|
Resolution 2.54 Å R-free 0.291 |
| 7LUO N-terminus of Skp2 bound to Cyclin A Deposited 2021-02-22 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
173–432（260 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；1.7 M Sodium-potassium phosphate
|
Resolution 3.17 Å R-free 0.277 |
| 7LUO N-terminus of Skp2 bound to Cyclin A Deposited 2021-02-22 | Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric |
Chain C
173–432（260 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；1.7 M Sodium-potassium phosphate
|
Resolution 3.17 Å R-free 0.277 |
| 7MKX Crystal Structure Analysis of human CDK2 and CCNA2 complex Deposited 2021-04-27 | 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
171–432（262 aa）
|
Not recorded | ZGY 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.5M Ammonium Citrate, pH 6.0
|
Resolution 3.08 Å R-free 0.289 |
| 7MKX Crystal Structure Analysis of human CDK2 and CCNA2 complex Deposited 2021-04-27 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
171–432（262 aa）
|
Not recorded | ZGY 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.5M Ammonium Citrate, pH 6.0
|
Resolution 3.08 Å R-free 0.289 |
| 7QHL Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24 Deposited 2021-12-13 | 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
175–432（258 aa）
|
Not recorded | D5P 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291.15 K；70%: 10% w/v PEG 4,000, 20% v/v glycerol, 0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Tris/Bicine pH 8.5
30%:20% w/v PEG 6000, 0.1 M Bicine, pH 9
|
Resolution 1.70 Å R-free 0.224 |
| 7QHL Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24 Deposited 2021-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | D5P 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 SGM MONOTHIOGLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291.15 K；70%: 10% w/v PEG 4,000, 20% v/v glycerol, 0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Tris/Bicine pH 8.5
30%:20% w/v PEG 6000, 0.1 M Bicine, pH 9
|
Resolution 1.70 Å R-free 0.224 |
| 8B54 CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768 Deposited 2022-09-21 | 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
175–432（258 aa）
|
Not recorded | P2V ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；70%: 10% w/v PEG 4,000, 20% v/v glycerol, 0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Tris/Bicine pH 8.5
30%:0.8 M sodium phosphate monobasic monohydrate, 0.8 M potassium phosphate monobasic, 0.1 M Sodium HEPES, pH7.5
|
Resolution 2.60 Å R-free 0.287 |
| 8B54 CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768 Deposited 2022-09-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
175–432（258 aa）
|
Not recorded | P2V ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine × 1 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；70%: 10% w/v PEG 4,000, 20% v/v glycerol, 0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Tris/Bicine pH 8.5
30%:0.8 M sodium phosphate monobasic monohydrate, 0.8 M potassium phosphate monobasic, 0.1 M Sodium HEPES, pH7.5
|
Resolution 2.60 Å R-free 0.287 |
| 8BYA Cryo-EM structure of SKP1-SKP2-CKS1-CDK2-CyclinA-p27KIP1 Complex Deposited 2022-12-12 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric |
Chain B
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.38 Å |
| 8BZO Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex Deposited 2022-12-15 | Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å |
| 9D97 KIR3DL1 - HLA-B*38-YHE complex Deposited 2024-08-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
178–186（9 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；15% PEG 3350, 2% Tacsimate, pH 5.0, 0.1 M Na3citrate, pH 5.6
|
Resolution 1.60 Å R-free 0.195 |
| 9D97 KIR3DL1 - HLA-B*38-YHE complex Deposited 2024-08-21 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
178–186（9 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；15% PEG 3350, 2% Tacsimate, pH 5.0, 0.1 M Na3citrate, pH 5.6
|
Resolution 1.60 Å R-free 0.195 |
| 9GLA Crystal structure of a CDK2-based CDK7 mimic with inhibitor SY5609 Deposited 2024-08-27 | 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
175–432（258 aa）
|
Not recorded | YNK 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile × 1 SGM MONOTHIOGLYCEROL × 1 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.8 M succinic acid pH 7.0
|
Resolution 2.18 Å R-free 0.249 |
| 9HIU Cryo-EM structure of CDK2-cyclin A bound to a GMNC peptide Deposited 2024-11-27 | Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 9HIW Cryo-EM structure of CDK2-cyclin A bound to a SAMHD1 peptide Deposited 2024-11-27 | Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9QCV Cryo-EM structure of CAK-CDK2-cyclin A2 bound to AMP-PNP Deposited 2025-03-05 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain L
1–432（432 aa）
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.50 Å |
| 9QCX Cryo-EM structure of apo-CAK-CDK2-cyclin A2 Deposited 2025-03-05 | Different oligomeric state Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain L
1–432（432 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.60 Å |
| 9QJJ Cryo-EM structure of CDK2-cyclin A bound to OTS964 Deposited 2025-03-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–432（432 aa）
|
Not recorded | NK3 OTS964 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.9
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.50 Å |
113 other PDB entries and 212 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | CCNA2_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–432； UniProt 1–432 |
