Cyclin-dependent kinase 2
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 × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 1–297 | Mutation：Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | Cyclin-A2 × 1 （P20248） 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 |
| 2 | Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain C； UniProt 1–297 | Mutation：Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | Cyclin-A2 × 1 （P20248） 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 |
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 4EOO | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1AQ1 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE Deposited 1997-08-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | STU STAUROSPORINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM STAUROSPORINE IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM STAUROSPORINE IN 100% DMSO., vapor diffusion
|
Resolution 2.00 Å R-free 0.260 |
| 1B38 HUMAN CYCLIN-DEPENDENT KINASE 2 Deposited 1998-12-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：INTACT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；PROTEIN AT 10 MG/ML IN 10MM HEPES/HCL PH7.4, 15MM NACL WELL BUFFER CONTAINING 50MM AMMONIUM ACETATE, 12% PEG 3350, 100MM HEPES/HCL PH 7.4
|
Resolution 2.00 Å R-free 0.250 |
| 1B39 HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160 Deposited 1998-12-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：INTACT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
streak seeding；pH 7.5；STREAK SEEDING FROM UNPHOSPHORYLATED CDK2 CRYSTALS, USING PHOSPHORYLATED CDK2 PROTEIN PREEQUILIBRATED AGAINST WELL SOLUTION. PROTEIN AT 10 MG/ML IN 50MM TRIS/HCL PH7.5, 50MM NACL. WELL SOLUTION OF 12-16% PEG 3350, 0.1M TRIS/HCL PH 7.5, 50MM AMMONIUM ACETATE., streak seeding
|
Resolution 2.10 Å R-free 0.270 |
| 1BUH CRYSTAL STRUCTURE OF THE HUMAN CDK2 KINASE COMPLEX WITH CELL CYCLE-REGULATORY PROTEIN CKSHS1 Deposited 1998-09-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；17-19% MEPEG 5K, 100 MM TRIS-HCL PH 7.5, 100 MM KCL
|
Resolution 2.60 Å R-free 0.250 |
| 1CKP HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B Deposited 1998-07-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | PVB PURVALANOL B × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；pH 7.4
|
Resolution 2.05 Å R-free 0.260 |
| 1DI8 THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE Deposited 1999-11-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DTQ 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20MM HEPES, 1MM EDTA, 10% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.226 |
| 1DM2 HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE Deposited 1999-12-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HMD 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；278 K；HEPES, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.10 Å R-free 0.267 |
| 1E1V HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU2058 Deposited 2000-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CMG 6-O-CYCLOHEXYLMETHYL GUANINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM NU2058 IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM NU2058 IN 100% DMSO.
|
Resolution 1.95 Å R-free 0.269 |
| 1E1X HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027 Deposited 2000-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NW1 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM NU2058 IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM NU6027 IN 100% DMSO.
|
Resolution 1.85 Å R-free 0.281 |
| 1E9H Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound Deposited 2000-10-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 1F5Q CRYSTAL STRUCTURE OF MURINE GAMMA HERPESVIRUS CYCLIN COMPLEXED TO HUMAN CYCLIN DEPENDENT KINASE 2 Deposited 2000-06-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1M HEPES, 12% propan-2-ol, 5% PEG 4K, 10mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.278 |
| 1F5Q CRYSTAL STRUCTURE OF MURINE GAMMA HERPESVIRUS CYCLIN COMPLEXED TO HUMAN CYCLIN DEPENDENT KINASE 2 Deposited 2000-06-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1M HEPES, 12% propan-2-ol, 5% PEG 4K, 10mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.278 |
| 1FIN CYCLIN A-CYCLIN-DEPENDENT KINASE 2 COMPLEX Deposited 1996-07-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Not recorded | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å |
| 1FQ1 CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2 Deposited 2000-09-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000,KCl, Mgacetate,Na cacodylate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.00 Å R-free 0.313 |
| 1FVT THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR Deposited 2000-09-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 106 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG 3340, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.20 Å R-free 0.232 |
| 1FVV THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR Deposited 2000-09-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 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 |
| 1G5S CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717 Deposited 2000-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | I17 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.61 Å R-free 0.242 |
| 1GIH HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR Deposited 2001-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 1PU 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；278 K；HEPES, sodium chloride, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.80 Å R-free 0.275 |
| 1GII HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR Deposited 2001-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Mutation：F82H, L83V, K89T | 1PU 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；278 K；HEPES, sodium chloride, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.00 Å R-free 0.259 |
| 1GIJ HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR Deposited 2001-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Mutation：F82H, L83V, K89T | 2PU 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；278 K；HEPES, sodium chloride, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.286 |
| 1GY3 pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate Deposited 2002-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 1GZ8 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine Deposited 2002-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MBP 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM NU2058 IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM NU2058 IN 100% DMSO.
|
Resolution 1.30 Å R-free 0.185 |
| 1H00 CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor Deposited 2002-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FAP (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL × 1 FCP (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 1.60 Å R-free 0.242 |
| 1H01 CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor Deposited 2002-06-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 2 FAL (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL × 1 FBL (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 1.79 Å R-free 0.219 |
| 1H07 CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor Deposited 2002-06-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MFP ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE × 1 MFQ ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 1.85 Å R-free 0.235 |
| 1H08 CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor Deposited 2002-06-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BYP (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL × 1 BWP (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 1.80 Å R-free 0.242 |
| 1H0V Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[(R)-pyrrolidino-5'-yl]methoxypurine Deposited 2002-06-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | UN4 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM NU2058 IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM NU2058 IN 100% DMSO.
|
Resolution 1.90 Å R-free 0.234 |
| 1H0W Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine Deposited 2002-06-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 207 1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM NU2058 IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM NU2058 IN 100% DMSO.
|
Resolution 2.10 Å R-free 0.287 |
| 1H1P Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 Deposited 2002-07-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 1HCK HUMAN CYCLIN-DEPENDENT KINASE 2 Deposited 1996-06-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.90 Å R-free 0.272 |
| 1HCL HUMAN CYCLIN-DEPENDENT KINASE 2 Deposited 1996-06-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å R-free 0.254 |
| 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 conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–298（298 aa）
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Mutation：PHOSPHORYLATED AT THR A 160 Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.260 |
| 1JSV The structure of cyclin-dependent kinase 2 (CDK2) in complex with 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide Deposited 2001-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | U55 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.3；277 K；200mM HEPES, beta-mercaptoethanal, pH 7.30, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.96 Å |
| 1JVP Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365 Deposited 2001-08-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain P
1–298（298 aa）
|
Not recorded | 89E 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.6；293 K；PEG 4000, sodium chloride, ammonium acetate, sodium azide, Hepes, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.53 Å R-free 0.253 |
| 1KE5 CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide Deposited 2001-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LS1 N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG3340, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.20 Å R-free 0.224 |
| 1KE6 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE Deposited 2001-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LS2 N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG3340, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.00 Å R-free 0.222 |
| 1KE7 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE Deposited 2001-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LS3 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG3340, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.00 Å R-free 0.235 |
| 1KE8 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE Deposited 2001-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LS4 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG3340, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.00 Å R-free 0.228 |
| 1KE9 CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE Deposited 2001-11-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LS5 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG3340, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.00 Å R-free 0.238 |
| 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 1OIQ Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation Deposited 2003-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HDU N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 2.31 Å R-free 0.271 |
| 1OIR Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation Deposited 2003-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HDY 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 1.91 Å R-free 0.241 |
| 1OIT Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation Deposited 2003-06-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HDT 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 1.60 Å R-free 0.240 |
| 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 |
| 1P2A The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor Deposited 2003-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 5BN 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 9；277 K；PEG 3350, ammonium phosphate, bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.280 |
| 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 1PF8 Crystal Structure of Human Cyclin-Dependent Kinase 2 Complexed with a Nucleoside Inhibitor Deposited 2003-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | SU9 (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；HEPES, EDTA, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.51 Å R-free 0.306 |
| 1PKD THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A Deposited 2003-06-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 1PW2 APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2 Deposited 2003-06-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, Na-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.249 |
| 1PXI HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CK1 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.251 |
| 1PXJ HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：HUMAN CYCLIN-DEPENDENT KINASE 2
|
Not recorded | CK2 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.271 |
| 1PXK HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：HUMAN CYCLIN-DEPENDENT KINASE 2
|
Not recorded | CK3 N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.266 |
| 1PXL HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：HUMAN CYCLIN-DEPENDENT KINASE 2
|
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
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.249 |
| 1PXM HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CK5 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.53 Å R-free 0.280 |
| 1PXN HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CK6 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.277 |
| 1PXO HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
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
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.96 Å R-free 0.235 |
| 1PXP HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine Deposited 2003-07-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 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
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.273 |
| 1PYE Crystal structure of CDK2 with inhibitor Deposited 2003-07-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | PM1 [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；PEG 3000, Hepes, NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.252 |
| 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 conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–298（298 aa）
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 1R78 CDK2 complex with a 4-alkynyl oxindole inhibitor Deposited 2003-10-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | FMD 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 9；277 K；pH 9, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.00 Å R-free 0.262 |
| 1URC Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly Deposited 2003-10-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 |
| 1URW CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE Deposited 2003-11-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | I1P 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 1.60 Å R-free 0.253 |
| 1V1K CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR Deposited 2004-04-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 3FP (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00
|
Resolution 2.31 Å R-free 0.269 |
| 1VYW Structure of CDK2/Cyclin A with PNU-292137 Deposited 2004-05-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 |
| 1VYZ Structure of CDK2 complexed with PNU-181227 Deposited 2004-05-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | N5B N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；10 PERCENT PEG4000, 50 MM AMMONIUN ACETATE, 50 MM HEPES PH 7.4
|
Resolution 2.21 Å R-free 0.280 |
| 1W0X Crystal structure of human CDK2 in complex with the inhibitor olomoucine. Deposited 2004-06-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–298（298 aa）
|
Not recorded | OLO OLOMOUCINE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å R-free 0.270 |
| 1W8C CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2 Deposited 2004-09-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | N69 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；50 MM AMMONIUM ACETATE, 10% PEG 3350, 25% GLYCEROL, 100 MM HEPES PH 7.4. VAPOUR DIFFUSION
|
Resolution 2.05 Å R-free 0.256 |
| 1W98 The structural basis of CDK2 activation by cyclin E Deposited 2004-10-07 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；PCDK2/CYCLIN E (6-8 MG/ML), 1 MM AMPPNP, 10-15% PEG3350, 0.2 M SODIUM CITRATE PH7.5, pH 7.50
|
Resolution 2.15 Å R-free 0.246 |
| 1WCC Screening for fragment binding by X-ray crystallography Deposited 2004-11-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CIG 2-AMINO-6-CHLOROPYRAZINE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å R-free 0.252 |
| 1Y8Y Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor Deposited 2004-12-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CT7 (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；PEG 3350, Hepes, Ammonium acetate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.272 |
| 1Y91 Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor Deposited 2004-12-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CT9 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；Peg 3350, Hepes, Ammonium acetate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.15 Å R-free 0.295 |
| 1YKR Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor Deposited 2005-01-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 628 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；20% PEG3000, 100mM Hepes, 200mM NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 1.80 Å R-free 0.271 |
| 2A0C Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor Deposited 2005-06-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain X
1–298（298 aa）
|
Not recorded | CK9 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；PEG 6000, NA-HEPES,, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.244 |
| 2B52 Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562 Deposited 2005-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | D42 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；100mM HEPES pH 7.4, 50mM Ammonium Acetate, 2mM DTT, 4-14% PEG 4000 , VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.88 Å R-free 0.275 |
| 2B53 Human cyclin dependent kinase 2 (CDK2) complexed with DIN-234325 Deposited 2005-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | D23 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；100mM HEPES pH 7.4, 50mM Ammonium Acetate, 2mM DTT, 4-14% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.273 |
| 2B54 Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305 Deposited 2005-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | D05 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；100mM HEPES pH 7.4, 50mM Ammonium Acetate, 2mM DTT, 4-14% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.263 |
| 2B55 Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312 Deposited 2005-09-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | D31 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；100mM HEPES pH 7.4, 50mM Ammonium Acetate, 2mM DTT, 4-14% PEG 4000 , VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.256 |
| 2BHE HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 5-BROMO-INDIRUBINE Deposited 2005-01-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | BRY (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；100MM HEPES AT PH 7.8, 10% PEG3350 AND 0.1M NAAC
|
Resolution 1.90 Å R-free 0.322 |
| 2BHH HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 4-HYDROXYPIPERINDINESULFONYL-INDIRUBINE Deposited 2005-01-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | RYU (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；100MM HEPES AT PH 7.8, 10% PEG3350 AND 0.1M NAAC
|
Resolution 2.60 Å R-free 0.325 |
| 2BKZ STRUCTURE OF CDK2-CYCLIN A WITH PHA-404611 Deposited 2005-02-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 |
| 2BTR STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873 Deposited 2005-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | U73 N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；10 PERCENT PEG4000,50 MM AMMONIUM ACETATE, 50 MM HEPES PH 7.4
|
Resolution 1.85 Å R-free 0.272 |
| 2BTS STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032 Deposited 2005-06-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | U32 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；10 PERCENT PEG4000,50 MM AMMONIUN ACETATE, 50 MM HEPES PH 7
|
Resolution 1.99 Å R-free 0.261 |
| 2C4G STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 Deposited 2005-10-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 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 |
| 2C5Y DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN Deposited 2005-11-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 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
VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；PEG 3350, NAF, PH 7.0, VAPOUR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 2.25 Å R-free 0.295 |
| 2C68 Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CT6 (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；PEG3350, HEPES PH 7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE
|
Resolution 1.95 Å R-free 0.249 |
| 2C69 Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CT8 (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20
|
Resolution 2.10 Å R-free 0.280 |
| 2C6I Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DT1 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20
|
Resolution 1.80 Å R-free 0.275 |
| 2C6K Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DT2 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20
|
Resolution 1.90 Å R-free 0.254 |
| 2C6L Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DT4 4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20
|
Resolution 2.30 Å R-free 0.281 |
| 2C6M Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
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, HANGING DROP；pH 7.2；PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20
|
Resolution 1.90 Å R-free 0.270 |
| 2C6O Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20
|
Resolution 2.10 Å R-free 0.288 |
| 2C6T Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor Deposited 2005-11-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 2CLX 4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects Deposited 2006-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | F18 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；277 K；10% PEG 3350, NAF, PH 7.0, VAPOUR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 1.80 Å R-free 0.231 |
| 2DS1 Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor Deposited 2006-06-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Mutation：F82H, L83V, K89T | 1CD (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25 ),18,20-HEPTAENE-23,26-DIONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；800mM HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.290 |
| 2DUV Structure of CDK2 with a 3-hydroxychromones Deposited 2006-07-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 371 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.2M Hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.310 |
| 2EXM Human CDK2 in complex with isopentenyladenine Deposited 2005-11-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | ZIP N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；slow concentration of protein by equilibration of protein drop in 10 mM HEPES pH 7.4 against well solution with 0.2 M HEPES pH 7.4., VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.270 |
| 2FVD Cyclin Dependent Kinase 2 (CDK2) with diaminopyrimidine inhibitor Deposited 2006-01-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LIA (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；PEG 3000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.85 Å R-free 0.235 |
| 2G9X Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271 Deposited 2006-03-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NU5 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, Hepes, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 7.00
|
Resolution 2.50 Å R-free 0.265 |
| 2G9X Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271 Deposited 2006-03-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NU5 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, Hepes, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 7.00
|
Resolution 2.50 Å R-free 0.265 |
| 2I40 Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor Deposited 2006-08-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 2J9M Crystal Structure of CDK2 in complex with Macrocyclic Aminopyrimidine Deposited 2006-11-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | PY8 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.8；pH 7.8
|
Resolution 2.50 Å R-free 0.294 |
| 2JGZ Crystal structure of phospho-CDK2 in complex with Cyclin B Deposited 2007-02-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–288（288 aa）
Fragment：RESIDUES 1-288
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；0.9-1.2 M AMMONIUM SULPHATE, 100 MM MES PH 6.0-6.5, 100 MM POTASSIUM CHLORIDE
|
Resolution 2.90 Å R-free 0.275 |
| 2R3F Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SC8 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.50 Å R-free 0.236 |
| 2R3G Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SC9 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.55 Å R-free 0.212 |
| 2R3H Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCE 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% v/v PEG 4000, 4% v/v Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.50 Å R-free 0.219 |
| 2R3I Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCF 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.28 Å R-free 0.202 |
| 2R3J Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCJ 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.65 Å R-free 0.236 |
| 2R3K Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCQ 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.70 Å R-free 0.232 |
| 2R3L Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCW 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.65 Å R-free 0.226 |
| 2R3M Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCX N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.70 Å R-free 0.216 |
| 2R3N Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SCZ 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.63 Å R-free 0.235 |
| 2R3O Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 2SC (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.80 Å R-free 0.227 |
| 2R3P Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 3SC 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.66 Å R-free 0.226 |
| 2R3Q Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 5SC 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.35 Å R-free 0.202 |
| 2R3R Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Deposited 2007-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 6SC 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；298 K；50 mM Na-HEPES pH 7.4, 50 mM Ammonium Acetate, 8% PEG 4000, 4% Glycerol, 1 mM TCEP, vapor diffusion, temperature 298K
|
Resolution 1.47 Å R-free 0.211 |
| 2R64 Crystal structure of a 3-aminoindazole compound with CDK2 Deposited 2007-09-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 740 N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；40mM Hepes, 30mM NaCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.257 |
| 2UUE REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors Deposited 2007-03-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 2UZN Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | C96 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, PEG3350, HEPES PH7.2, AMMONIUM ACETATE, pH 7.00
|
Resolution 2.30 Å R-free 0.297 |
| 2UZO Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-04-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | C62 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, PEG3350, HEPES PH7.2, AMMONIUM ACETATE, pH 7.00
|
Resolution 2.30 Å R-free 0.291 |
| 2V0D Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor Deposited 2007-05-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | C53 2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, PEG3350, HEPES PH7.2, AMMONIUM ACETATE, pH 7.00
|
Resolution 2.20 Å R-free 0.286 |
| 2V22 REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors Deposited 2007-05-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 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 |
| 2VTA Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | GOL GLYCEROL × 2 LZ1 1H-indazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M HEPES/NAOH PH7.4, 42.5MM AMMONIUM ACETATE, 7%(W/V)PEG 3350
|
Resolution 2.00 Å R-free 0.280 |
| 2VTH Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | GOL GLYCEROL × 1 LZ2 5-hydroxynaphthalene-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH PH7.4, 0.0475M AMMONIUM ACETATE, 12% W/V PEG 3350, pH 6.7
|
Resolution 1.90 Å R-free 0.241 |
| 2VTI Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZ3 N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH PH7.0, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350, pH 6.7
|
Resolution 2.00 Å R-free 0.199 |
| 2VTJ Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | GOL GLYCEROL × 1 LZ4 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350, pH 6.7
|
Resolution 2.20 Å R-free 0.262 |
| 2VTL Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZ5 N-phenyl-1H-pyrazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350, pH 6.7
|
Resolution 2.00 Å R-free 0.235 |
| 2VTM Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZM PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH PH7.0, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350, pH 6.7
|
Resolution 2.25 Å R-free 0.286 |
| 2VTN Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZ7 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH PH6.7, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350
|
Resolution 2.20 Å R-free 0.251 |
| 2VTO Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZ8 N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350, pH 6.7
|
Resolution 2.19 Å R-free 0.241 |
| 2VTP Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZ9 {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH PH7.0, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350, pH 6.7
|
Resolution 2.15 Å R-free 0.247 |
| 2VTQ Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZA {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH, PH7.0, 0.0475M AMMONIUM ACETATE, 12% W/V PEG 3350, pH 6.7
|
Resolution 1.90 Å R-free 0.244 |
| 2VTR Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZB 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH PH7.0 0.0475M AMMONIUM ACETATE 12% W/V PEG3350, pH 6.7
|
Resolution 1.89 Å R-free 0.261 |
| 2VTS Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZC 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH, PH6.7, 0.0475M AMMONIUM ACETATE, 12% W/V PEG3350
|
Resolution 1.90 Å R-free 0.261 |
| 2VTT Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZD 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH, PH7.0, 0.0475M AMMONIUM ACETATE, 12% W/V PEG 3350, pH 6.7
|
Resolution 1.68 Å R-free 0.227 |
| 2VU3 Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Deposited 2008-05-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | LZE 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.7；0.1M HEPES/NAOH PH7.0, 0.0475M AMMONIUM ACETATE, 12% W/V PEG 3350, pH 6.7
|
Resolution 1.85 Å R-free 0.246 |
| 2VV9 CDK2 in complex with an imidazole piperazine Deposited 2008-06-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IM9 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE
|
Resolution 1.90 Å R-free 0.228 |
| 2W05 Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b Deposited 2008-08-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | FRT N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE
|
Resolution 1.90 Å R-free 0.293 |
| 2W06 Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c Deposited 2008-08-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FRV 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE
|
Resolution 2.04 Å R-free 0.234 |
| 2W17 CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b Deposited 2008-10-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ACT ACETATE ION × 1 I19 N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE
|
Resolution 2.15 Å R-free 0.300 |
| 2W1H Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity Deposited 2008-10-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | L0F N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.15 Å R-free 0.308 |
| 2WEV Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design Deposited 2009-04-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 |
| 2XMY Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents Deposited 2010-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | CDK 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.8；10% PEG 3350, NAF, PH 7.0
|
Resolution 1.90 Å R-free 0.271 |
| 2XNB Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents Deposited 2010-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Y8L 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.8；10% PEG 3350, NAF, PH 7.0
|
Resolution 1.85 Å R-free 0.294 |
| 3BHT Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 Deposited 2007-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MFR 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine × 1 MG MAGNESIUM ION × 1 SGM MONOTHIOGLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.220 |
| 3BHT Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 Deposited 2007-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MFR 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine × 1 MG MAGNESIUM ION × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.220 |
| 3BHU Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 Deposited 2007-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MHR 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.240 |
| 3BHU Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 5 Deposited 2007-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MHR 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.240 |
| 3BHV Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B Deposited 2007-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | VAR 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol × 1 MG MAGNESIUM ION × 1 SGM MONOTHIOGLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.229 |
| 3BHV Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B Deposited 2007-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | VAR 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol × 1 MG MAGNESIUM ION × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.229 |
| 3DDP Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8 Deposited 2008-06-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
Fragment：CDK2
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RC8 (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.270 |
| 3DDP Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8 Deposited 2008-06-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
Fragment：CDK2
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RC8 (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.270 |
| 3DDQ Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine Deposited 2008-06-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
Fragment：CDK2
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RRC R-ROSCOVITINE × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.229 |
| 3DDQ Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine Deposited 2008-06-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
Fragment：CDK2
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RRC R-ROSCOVITINE × 1 SGM MONOTHIOGLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.229 |
| 3DOG Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 Deposited 2008-07-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NNN (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.248 |
| 3DOG Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor N-&-N1 Deposited 2008-07-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NNN (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol × 1 SGM MONOTHIOGLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ammonium sulphate, potassium chloride, HEPES pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.248 |
| 3EID CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor Deposited 2008-09-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 |
| 3EZR CDK-2 with indazole inhibitor 17 bound at its active site Deposited 2008-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EZR 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；14% PEG 4K, 50mM Hepes pH 7.5, 50mM ammonium acetate, 10 mM DTT, vapor diffusion, temperature 291K
|
Resolution 1.90 Å R-free 0.243 |
| 3EZV CDK-2 with indazole inhibitor 9 bound at its active site Deposited 2008-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 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 4K, 50mM Hepes pH 7.5, 50mM ammonium acetate, 10 mM DTT, vapor diffusion, temperature 291K
|
Resolution 1.99 Å R-free 0.244 |
| 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 conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
1–298（298 aa）
Chain C
1–298（298 aa）
|
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 conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–298（298 aa）
Chain C
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 |
| 3FZ1 Crystal structure of a benzthiophene inhibitor bound to human Cyclin-dependent Kinase-2 (CDK-2) Deposited 2009-01-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | B98 (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；CDK-1 at 2.5 mg/ml is equilibrated against a well solution containing 14% PEG 4000, 50 mM ammonium acetate, 50 mM Hepes pH 7.5, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.259 |
| 3IG7 Novel CDK-5 inhibitors - crystal structure of inhibitor EFP with CDK-2 Deposited 2009-07-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EFP N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å R-free 0.257 |
| 3IGG Novel CDK-5 inhibitors - crystal structure of inhibitor EFQ with CDK-2 Deposited 2009-07-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EFQ N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.80 Å R-free 0.257 |
| 3LE6 The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor Deposited 2010-01-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 2BZ 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；PEG 3350, ammonium fluoride, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.248 |
| 3LFN Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor Deposited 2010-01-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A27 N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.28 Å R-free 0.268 |
| 3LFQ Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor Deposited 2010-01-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A28 N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.03 Å R-free 0.241 |
| 3LFS Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor Deposited 2010-01-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A07 N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.250 |
| 3MY5 CDk2/cyclinA in complex with DRB Deposited 2010-05-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RFZ 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole × 1 FMT FORMIC ACID × 3 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；1.1M Ammonium Sulphate, 100mM Hepes pH 7.0, 5mM DTT, saturated DRB, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.219 |
| 3MY5 CDk2/cyclinA in complex with DRB Deposited 2010-05-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RFZ 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole × 1 SGM MONOTHIOGLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；1.1M Ammonium Sulphate, 100mM Hepes pH 7.0, 5mM DTT, saturated DRB, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.219 |
| 3NS9 Crystal structure of CDK2 in complex with inhibitor BS-194 Deposited 2010-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | NS9 (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；0.1M ammonium acetate, pH 7.8, 6% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.78 Å R-free 0.265 |
| 3PJ8 Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine. Deposited 2010-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 404 (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；PEG 3350, Na-HEPES, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 1.96 Å R-free 0.273 |
| 3PXF CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate Deposited 2010-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 5 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2, 5 mM ANS, 15% (v/v) JEFFAMINE ED-2001, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.229 |
| 3PXQ CDK2 in complex with 3 molecules of 8-anilino-1-naphthalene sulfonate Deposited 2010-12-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2, 15% (v/v) PEG3350, 50 mM HEPES/NaOH; soaked 24 hrs in 15 mM ANS, 50 mM HEPES, 50 mM Na/K phosphate, 7.5% (v/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.235 |
| 3PXR Apo CDK2 crystallized from Jeffamine Deposited 2010-12-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2, 15 % (v/v) Jeffamine ED-2001, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.235 |
| 3PXY CDK2 in complex with inhibitor JWS648 Deposited 2010-12-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | JWS 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2, 1.5 mM JWS648, 15% (v/v) PEG3350, 50 mM HEPES/NaOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.242 |
| 3PXZ CDK2 ternary complex with JWS648 and ANS Deposited 2010-12-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE × 2 JWS 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2, 3 mM JWS648, 15% (v/v) PEG3350, 50 mM HEPES/NaOH, soaked for 24 hrs in 15 mM ANS, 2 mM JWS648, 50 mM HEPES, 50 mM Na/K phosphate, 7.5% (v/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.70 Å R-free 0.256 |
| 3PY0 CDK2 in complex with inhibitor SU9516 Deposited 2010-12-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 PO4 PHOSPHATE ION × 1 SU9 (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2, 1.5 mM SU9516, 15% (v/v) PEG3350, 50 mM HEPES/NaOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.260 |
| 3PY1 CDK2 ternary complex with SU9516 and ANS Deposited 2010-12-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 SU9 (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE × 1 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2, 1.5 mM SU9516, 15% (v/v) PEG3350, 50 mM HEPES/NaOH, soaked for 24 hrs in 15 mM ANS, 2 mM SU9516, 50 mM HEPES, 50 mM Na/K phosphate, 7.5% (v/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.05 Å R-free 0.251 |
| 3QHR Structure of a pCDK2/CyclinA transition-state mimic Deposited 2011-01-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MGF TRIFLUOROMAGNESATE × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；22% w/v Poly(acrylic acid sodium salt) 5100, 20mM MgCl2, 100mM HEPES pH
8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.17 Å R-free 0.210 |
| 3QHR Structure of a pCDK2/CyclinA transition-state mimic Deposited 2011-01-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MGF TRIFLUOROMAGNESATE × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；22% w/v Poly(acrylic acid sodium salt) 5100, 20mM MgCl2, 100mM HEPES pH
8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.17 Å R-free 0.210 |
| 3QHW Structure of a pCDK2/CyclinA transition-state mimic Deposited 2011-01-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MGF TRIFLUOROMAGNESATE × 1 CL CHLORIDE ION × 1 DTU (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.25；293 K；22% w/v Poly(acrylic acid sodium salt) 5100, 20mM MgCl2, 100mM HEPES pH 8.25, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.91 Å R-free 0.219 |
| 3QHW Structure of a pCDK2/CyclinA transition-state mimic Deposited 2011-01-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MGF TRIFLUOROMAGNESATE × 1 CL CHLORIDE ION × 1 DTU (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.25；293 K；22% w/v Poly(acrylic acid sodium salt) 5100, 20mM MgCl2, 100mM HEPES pH 8.25, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.91 Å R-free 0.219 |
| 3QL8 CDK2 in complex with inhibitor JWS-6-260 Deposited 2011-02-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X01 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.238 |
| 3QQF CDK2 in complex with inhibitor L1 Deposited 2011-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X07 5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.234 |
| 3QQG CDK2 in complex with inhibitor L2-5 Deposited 2011-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X06 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.242 |
| 3QQH CDK2 in complex with inhibitor L2-2 Deposited 2011-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 X0A 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.87 Å R-free 0.232 |
| 3QQJ CDK2 in complex with inhibitor L2 Deposited 2011-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X11 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.70 Å R-free 0.237 |
| 3QQK CDK2 in complex with inhibitor L4 Deposited 2011-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 5 X02 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.86 Å R-free 0.241 |
| 3QQL CDK2 in complex with inhibitor L3 Deposited 2011-02-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | X03 (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.224 |
| 3QRT CDK2 in complex with inhibitor NSK-MC2-55 Deposited 2011-02-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 X14 (5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.221 |
| 3QRU CDK2 in complex with inhibitor NSK-MC1-12 Deposited 2011-02-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X19 (5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.95 Å R-free 0.236 |
| 3QTQ CDK2 in complex with inhibitor RC-1-137 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X35 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.233 |
| 3QTR CDK2 in complex with inhibitor RC-1-148 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | X36 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.230 |
| 3QTS CDK2 in complex with inhibitor RC-2-12 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | X46 [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.231 |
| 3QTU CDK2 in complex with inhibitor RC-2-132 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | X44 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.82 Å R-free 0.246 |
| 3QTW CDK2 in complex with inhibitor RC-2-13 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 6 X3A [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.246 |
| 3QTX CDK2 in complex with inhibitor RC-2-35 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | X43 4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.95 Å R-free 0.246 |
| 3QTZ CDK2 in complex with inhibitor RC-2-36 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 X42 4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.235 |
| 3QU0 CDK2 in complex with inhibitor RC-2-38 Deposited 2011-02-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 X40 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.95 Å R-free 0.251 |
| 3QWJ CDK2 in complex with inhibitor KVR-1-142 Deposited 2011-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X6A 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.229 |
| 3QWK CDK2 in complex with inhibitor KVR-1-150 Deposited 2011-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 X62 4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.235 |
| 3QX2 CDK2 in complex with inhibitor KVR-1-190 Deposited 2011-03-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X63 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.228 |
| 3QX4 CDK2 in complex with inhibitor KVR-1-78 Deposited 2011-03-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 X4B 4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.92 Å R-free 0.238 |
| 3QXO CDK2 in complex with inhibitor KVR-1-84 Deposited 2011-03-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X65 5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.233 |
| 3QXP CDK2 in complex with inhibitor RC-3-89 Deposited 2011-03-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X64 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.254 |
| 3QZF CDK2 in complex with inhibitor JWS-6-52 Deposited 2011-03-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | X66 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.272 |
| 3QZG CDK2 in complex with inhibitor JWS-6-76 Deposited 2011-03-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 X67 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.226 |
| 3QZH CDK2 in complex with inhibitor KVR-1-124 Deposited 2011-03-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X69 4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.95 Å R-free 0.235 |
| 3QZI CDK2 in complex with inhibitor KVR-1-126 Deposited 2011-03-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X72 4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.236 |
| 3R1Q CDK2 in complex with inhibitor KVR-1-102 Deposited 2011-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X75 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.237 |
| 3R1S CDK2 in complex with inhibitor KVR-1-127 Deposited 2011-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X73 2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.224 |
| 3R1Y CDK2 in complex with inhibitor KVR-1-134 Deposited 2011-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X76 2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.244 |
| 3R28 CDK2 in complex with inhibitor KVR-1-140 Deposited 2011-03-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 XA0 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.256 |
| 3R6X CDK2 in complex with inhibitor KVR-1-158 Deposited 2011-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X84 4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.235 |
| 3R71 CDK2 in complex with inhibitor KVR-1-162 Deposited 2011-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X86 4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.237 |
| 3R73 CDK2 in complex with inhibitor KVR-1-164 Deposited 2011-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X87 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.70 Å R-free 0.221 |
| 3R7E CDK2 in complex with inhibitor KVR-1-67 Deposited 2011-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X88 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.237 |
| 3R7I CDK2 in complex with inhibitor KVR-1-74 Deposited 2011-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X9I 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.223 |
| 3R7U CDK2 in complex with inhibitor KVR-1-75 Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X96 2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.232 |
| 3R7V CDK2 in complex with inhibitor KVR-1-9 Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 Z02 5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.95 Å R-free 0.228 |
| 3R7Y CDK2 in complex with inhibitor KVR-2-88 Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 Z04 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.218 |
| 3R83 CDK2 in complex with inhibitor KVR-2-92 Deposited 2011-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 Z14 4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.230 |
| 3R8L CDK2 in complex with inhibitor L3-4 Deposited 2011-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z30 (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.263 |
| 3R8M CDK2 in complex with inhibitor L3-3 Deposited 2011-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 Z19 1H-indazole-3-carbohydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.239 |
| 3R8P CDK2 in complex with inhibitor NSK-MC1-6 Deposited 2011-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z46 (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.218 |
| 3R8U CDK2 in complex with inhibitor RC-1-132 Deposited 2011-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z31 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.236 |
| 3R8V CDK2 in complex with inhibitor RC-1-135 Deposited 2011-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z62 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.229 |
| 3R8Z CDK2 in complex with inhibitor RC-1-136 Deposited 2011-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z63 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.251 |
| 3R9D CDK2 in complex with inhibitor RC-2-135 Deposited 2011-03-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | X6B 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.95 Å R-free 0.246 |
| 3R9H CDK2 in complex with inhibitor RC-2-142 Deposited 2011-03-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z67 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.259 |
| 3R9N CDK2 in complex with inhibitor RC-2-21 Deposited 2011-03-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z68 [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.210 |
| 3R9O CDK2 in complex with inhibitor RC-2-143 Deposited 2011-03-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z71 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.246 |
| 3RAH CDK2 in complex with inhibitor RC-2-22 Deposited 2011-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | O1Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.224 |
| 3RAI CDK2 in complex with inhibitor KVR-1-160 Deposited 2011-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 X85 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.70 Å R-free 0.246 |
| 3RAK CDK2 in complex with inhibitor RC-2-32 Deposited 2011-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 03Z 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.237 |
| 3RAL CDK2 in complex with inhibitor RC-2-34 Deposited 2011-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 04Z 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.228 |
| 3RJC CDK2 in complex with inhibitor L4-12 Deposited 2011-04-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 06Z {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.250 |
| 3RK5 CDK2 in complex with inhibitor RC-2-72 Deposited 2011-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 07Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.238 |
| 3RK7 CDK2 in complex with inhibitor RC-2-71 Deposited 2011-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 08Z 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.224 |
| 3RK9 CDK2 in complex with inhibitor RC-2-74 Deposited 2011-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 09Z [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.252 |
| 3RKB CDK2 in complex with inhibitor RC-2-73 Deposited 2011-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 12Z [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.246 |
| 3RM6 CDK2 in complex with inhibitor KVR-2-80 Deposited 2011-04-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 18Z 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.60 Å R-free 0.241 |
| 3RM7 CDK2 in complex with inhibitor KVR-1-91 Deposited 2011-04-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 19Z 2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.239 |
| 3RMF CDK2 in complex with inhibitor RC-2-33 Deposited 2011-04-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 20Z 4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.234 |
| 3RNI CDK2 in complex with inhibitor RC-3-86 Deposited 2011-04-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 21Z 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.95 Å R-free 0.255 |
| 3ROY CDK2 in complex with inhibitor KVR-1-154 Deposited 2011-04-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 22Z 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.239 |
| 3RPO CDK2 in complex with inhibitor KVR-1-156 Deposited 2011-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 24Z 4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.226 |
| 3RPR CDK2 in complex with inhibitor RC-2-49 Deposited 2011-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 25Z [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.217 |
| 3RPV CDK2 in complex with inhibitor RC-2-88 Deposited 2011-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 26Z 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.239 |
| 3RPY CDK2 in complex with inhibitor RC-2-40 Deposited 2011-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 27Z 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.251 |
| 3RZB CDK2 in complex with inhibitor RC-2-23 Deposited 2011-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 02Z 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.245 |
| 3S00 CDK2 in complex with inhibitor L4-14 Deposited 2011-05-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | Z60 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.80 Å R-free 0.251 |
| 3S0O CDK2 in complex with inhibitor RC-1-138 Deposited 2011-05-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 50Z [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.271 |
| 3S1H CDK2 in complex with inhibitor RC-2-39 Deposited 2011-05-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 56Z 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.75 Å R-free 0.250 |
| 3S2P Crystal structure of CDK2 with a 2-aminopyrimidine compound Deposited 2011-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | PMU (3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；277 K；0.2M HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.304 |
| 3SQQ CDK2 in complex with inhibitor RC-3-96 Deposited 2011-07-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 99Z 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.85 Å R-free 0.236 |
| 3SW4 Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor Deposited 2011-07-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 18K N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M Ammonium Acetate, 0.1M HEPES pH 7.8, vapor diffusion, sitting drop, temperature 293.15K
|
Resolution 1.70 Å R-free 0.208 |
| 3SW7 Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor Deposited 2011-07-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 19K N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethyl-2-nitrobenzene-1,4-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M Ammonium Acetate, 0.1M HEPES pH 7.8, vapor diffusion, sitting drop, temperature 293.15K
|
Resolution 1.80 Å R-free 0.215 |
| 3TI1 CDK2 in complex with SUNITINIB Deposited 2011-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | B49 N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide × 1 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 1.5 mM Sunitinib, 15% (v/v) PEG 3350, 50 mM HEPES/NaOH (pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.99 Å R-free 0.262 |
| 3TIY CDK2 in complex with NSC 35676 Deposited 2011-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 12 TIY 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 1.5 mM NSC 35676, 15% (v/v) Jeffamine ED-2001 (pH 7.5), 100 mM HEPES/NaOH VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 1.84 Å R-free 0.224 |
| 3TIZ CDK2 in complex with NSC 111848 Deposited 2011-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 3TI 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol × 1 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 1.5 mM NSC 111848, 15% (v/v) Jeffamine ED-2001 (pH 7.5) and 100 mM VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.02 Å R-free 0.243 |
| 3TNW Structure of CDK2/cyclin A in complex with CAN508 Deposited 2011-09-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | F18 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；1.1 M ammonium sulphate, 100 mM HEPES, 5 mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.227 |
| 3TNW Structure of CDK2/cyclin A in complex with CAN508 Deposited 2011-09-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | F18 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL × 1 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；1.1 M ammonium sulphate, 100 mM HEPES, 5 mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.227 |
| 3ULI Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative Deposited 2011-11-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 1N3 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；296 K；50MM AMMONIUM ACETATE, 10-12% PEG4K, 0.1M HEPES PH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 2.00 Å R-free 0.302 |
| 3UNJ CDK2 in complex with inhibitor YL1-038-31 Deposited 2011-11-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 0BX 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 1.5 mM YL1-038-31, 5 % (v/v) PEG 3350, 50 mM HEPES/NaOH (pH 7.5), 50 mM phosphate (Na/K, pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.261 |
| 3UNK CDK2 in complex with inhibitor YL5-083 Deposited 2011-11-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 0BY 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 1.5 mM YL5-83, 5 % (v/v) PEG 3350, 50 mM HEPES/NaOH (pH 7.5), 50 mM phosphate (Na/K, pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.234 |
| 3WBL Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor Deposited 2013-05-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | ACT ACETATE ION × 1 PDY N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；PEG3350, Ammonium Acetate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.249 |
| 4ACM CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE Deposited 2011-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GOL GLYCEROL × 2 7YG 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
8% PEG 3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE
|
Resolution 1.63 Å R-free 0.218 |
| 4BCK Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 4BCO Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T6Q 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile × 1 SGM MONOTHIOGLYCEROL × 2 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 2.05 Å R-free 0.226 |
| 4BCO Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T6Q 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile × 1 SGM MONOTHIOGLYCEROL × 2 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 2.05 Å R-free 0.226 |
| 4BCP Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 4BCQ Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TJF 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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 2.40 Å R-free 0.252 |
| 4BCQ Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor Deposited 2012-10-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | TJF 4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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 2.40 Å R-free 0.252 |
| 4BGH Crystal Structure of CDK2 in complex with pan-CDK Inhibitor Deposited 2013-03-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 1-298
|
Not recorded | 3I6 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 1.95 Å R-free 0.246 |
| 4BZD Structure of CDK2 in complex with a benzimidazopyrimidine Deposited 2013-07-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ACT ACETATE ION × 1 D6I 6-(benzimidazol-1-yl)-N-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
12% PEG3350, 0.1M HEPES PH 7.5, 0.05M AMMONIUM ACETATE
|
Resolution 1.83 Å R-free 0.204 |
| 4CFM Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. Deposited 2013-11-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 4D1X CDK2 in complex with Luciferin Deposited 2014-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | ESJ (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
10 MM HEPES, 20 MM NACL, PH 7.4
|
Resolution 2.10 Å R-free 0.238 |
| 4D1Z CDK2 in complex with a Luciferin derivate Deposited 2014-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：KINASE DOMAIN, RESIDUES 1-298
|
Not recorded | WG8 (4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0 MM HEPES, 20 MM NACL, PH 7.4
|
Resolution 1.85 Å R-free 0.225 |
| 4EK3 Crystal structure of apo CDK2 Deposited 2012-04-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
|
Resolution 1.34 Å R-free 0.190 |
| 4EK4 Crystal structure of the cdk2 in complex with aminopyrazole inhibitor Deposited 2012-04-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1CK 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide × 1 NA SODIUM ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, pH 7.8, VAPOR DIFFUSION, SITTING DROP
|
Resolution 1.26 Å R-free 0.184 |
| 4EK5 Crystal structure of the cdk2 in complex with aminopyrazole inhibitor Deposited 2012-04-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 03K N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, pH 7.8, VAPOR DIFFUSION, SITTING DROP
|
Resolution 1.60 Å R-free 0.213 |
| 4EK6 Crystal structure of the cdk2 in complex with aminopyrazole inhibitor Deposited 2012-04-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 10K N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, pH 7.8, VAPOR DIFFUSION, SITTING DROP
|
Resolution 1.52 Å R-free 0.217 |
| 4EK8 Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor Deposited 2012-04-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 16K 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, pH 7.8, VAPOR DIFFUSION, SITTING DROP
|
Resolution 1.70 Å R-free 0.215 |
| 4EOI Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Mutation：K89D, Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Mutation：K89D, Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Mutation：H84S, Q85M, K89D Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Mutation：H84S, Q85M, K89D Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Mutation：H84S, Q85M, K89D Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–297（297 aa）
|
Mutation：H84S, Q85M, K89D Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Mutation：H84S, Q85M, K89D Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–297（297 aa）
|
Mutation：H84S, Q85M, K89D Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Mutation：H84S, Q85M, Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–297（297 aa）
|
Mutation：H84S, Q85M, Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Mutation：H84S, Q85M, Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Mutation：H84S, Q85M, Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 4EOP Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 Deposited 2012-04-14 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Mutation：Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–297（297 aa）
|
Mutation：Q131E Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 4ERW CDK2 in complex with staurosporine Deposited 2012-04-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | STU STAUROSPORINE × 1 EDO 1,2-ETHANEDIOL × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 50 mM sodium/potassium phosphate, 50 mM HEPES, pH 7.5, 5% v/v PEG3350, soaked overnight in 1 mM staurosporine in 50 mM phosphate, 50 mM HEPES, 15% v/v PEG3350, 25% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.244 |
| 4EZ3 CDK2 in complex with NSC 134199 Deposited 2012-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 0S0 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 5% v/v PEG3350, 50 mM HEPES/NaOH, pH 7.5, 50 mM sodium/potassium phosphate, pH 7.5, 10 mM NSC134199 soak, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.00 Å R-free 0.251 |
| 4EZ7 CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid Deposited 2012-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | STU STAUROSPORINE × 1 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 50 mM sodium/potassium phosphate, pH 7.5, 50 mM HEPES, pH 7.5, 5% v/v PEG3350, 1 mM staurosporine overnight soak followed by 20 mM ANS soak (50 mM HEPES, 50 mM phosphate, 15% v/v PEG3350, 25% v/v glycerol), VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.49 Å R-free 0.274 |
| 4FKG Crystal structure of the cdk2 in complex with aminopyrazole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4CK 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, VAPOR DIFFUSION, SITTING DROP, pH 7.8
|
Resolution 1.51 Å R-free 0.209 |
| 4FKI Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 09K N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, PH 7.8, VAPOR DIFFUSION, SITTING DROP
|
Resolution 1.60 Å R-free 0.198 |
| 4FKJ Crystal structure of the cdk2 in complex with aminopyrazole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 11K N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, VAPOR DIFFUSION, SITTING DROP, pH 7.8
|
Resolution 1.63 Å R-free 0.199 |
| 4FKL Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CK2 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, pH 7.8
|
Resolution 1.26 Å R-free 0.183 |
| 4FKO Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 20K 2-chloro-N~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N~1~,N~1~-dimethylbenzene-1,4-diamine × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, pH 7.8
|
Resolution 1.55 Å R-free 0.199 |
| 4FKP Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | LS5 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, VAPOR DIFFUSION, SITTING DROP, pH 7.8
|
Resolution 1.60 Å R-free 0.198 |
| 4FKQ Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 42K 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, PH 7.8, VAPOR DIFFUSION, SITTING DROP
|
Resolution 1.75 Å R-free 0.195 |
| 4FKR Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 45K (8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, PH 7.8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K
|
Resolution 1.90 Å R-free 0.213 |
| 4FKS Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 46K N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, pH 7.8
|
Resolution 1.55 Å R-free 0.183 |
| 4FKT Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 48K N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, pH 7.8
|
Resolution 1.60 Å R-free 0.193 |
| 4FKU Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 60K (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES PH 7.8, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K
|
Resolution 1.47 Å R-free 0.192 |
| 4FKV Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 61K (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, pH 7.8
|
Resolution 1.70 Å R-free 0.203 |
| 4FKW Crystal structure of the cdk2 in complex with oxindole inhibitor Deposited 2012-06-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 62K 2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.8；293.15 K；15-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, pH 7.8
|
Resolution 1.80 Å R-free 0.204 |
| 4FX3 Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor Deposited 2012-07-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
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 |
| 4GCJ CDK2 in complex with inhibitor RC-3-89 Deposited 2012-07-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 X64 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；5 mg/mL CDK2 protein, 3 mM inhibitor, 15% v/v PEG3350, 50 mM HEPES/NaOH, 50 mM sodium/potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.42 Å R-free 0.205 |
| 4I3Z Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions Deposited 2012-11-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 GOL GLYCEROL × 5 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；22% w/v polyacrylic acid sodium salt 5100, 20mM MgCl2, 100mM HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
|
Resolution 2.05 Å R-free 0.228 |
| 4I3Z Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions Deposited 2012-11-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 GOL GLYCEROL × 4 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；22% w/v polyacrylic acid sodium salt 5100, 20mM MgCl2, 100mM HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
|
Resolution 2.05 Å R-free 0.228 |
| 4II5 Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION Deposited 2012-12-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；22% W/V POLYACRYLIC ACID SODIUM SALT 5100, 20MM MGCL2, 100MM HEPES PH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
|
Resolution 2.15 Å R-free 0.226 |
| 4II5 Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION Deposited 2012-12-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；22% W/V POLYACRYLIC ACID SODIUM SALT 5100, 20MM MGCL2, 100MM HEPES PH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
|
Resolution 2.15 Å R-free 0.226 |
| 4KD1 CDK2 in complex with Dinaciclib Deposited 2013-04-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：CELL DIVISION PROTEIN KINASE 2, P33 PROTEIN KINASE
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 1QK 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；15% (V/V) PEG 3350, 50 MM HEPES/NAOH (PH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.70 Å R-free 0.232 |
| 4LYN Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide Deposited 2013-07-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 1YG (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.238 |
| 4NJ3 Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor Deposited 2013-11-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：CDK2
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 2KD 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；50 MM NA-HEPES, 50 MM, AMMONIUM ACETATE, 8% PEG 4000, 4% GLYCEROL, 1 MM TCEP, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.231 |
| 4RJ3 CDK2 with EGFR inhibitor compound 8 Deposited 2014-10-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ACT ACETATE ION × 1 3QS 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 4000, ammonium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
Resolution 1.63 Å R-free 0.210 |
| 5A14 Human CDK2 with type II inhibitor Deposited 2015-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | LQ5 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；10%(W/V) PEG4000, 0.1M HEPES PH 7.5, 0.05M AMMONIUM SULPHATE
|
Resolution 2.00 Å R-free 0.240 |
| 5ANE Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology Deposited 2015-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | SZL 6-METHOXY-9H-PURINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350
|
Resolution 1.70 Å R-free 0.252 |
| 5ANG Crystal structure of CDK2 in complex with 7-hydroxy-4-(morpholinomethyl)chromen-2-one processed with the CrystalDirect automated mounting and cryo-cooling technology Deposited 2015-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | WY3 7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350
|
Resolution 1.90 Å R-free 0.236 |
| 5ANI Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology Deposited 2015-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | ES4 6-chloro-9H-purine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350
|
Resolution 1.90 Å R-free 0.233 |
| 5ANJ Crystal structure of CDK2 in complex with N-(9H-purin-6-yl)thiophene- 2-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology Deposited 2015-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | ZXC N-(9H-purin-6-yl)thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350
|
Resolution 1.60 Å R-free 0.229 |
| 5ANK Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology Deposited 2015-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | RJI 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350
|
Resolution 1.90 Å R-free 0.236 |
| 5ANO Crystal structure of CDK2 processed with the CrystalDirect automated mounting and cryo-cooling technology Deposited 2015-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.02 M HEPES, PH=7.0, 5% GLYCEROL, 12% PEG 3350
|
Resolution 1.70 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 5D1J CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032) Deposited 2015-08-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 56H N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；316 K；35% poly(ethylene glycol) 5000 monomethyl ester, 0.2 M ammonium acetate, 0.1 M HEPES, pH 7.0,
|
Resolution 1.80 Å R-free 0.232 |
| 5FP5 Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site. Deposited 2015-11-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 1Y6 4-fluorobenzoic acid × 2 ACE ACETYL GROUP × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；10MM HEPES/NAOH PH7.4 15MM NACL PROTEIN CONCENTRATION: 8.6 MG/ML
|
Resolution 2.16 Å R-free 0.253 |
| 5FP6 Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. Deposited 2015-11-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | MFZ 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；PROTEIN CONCENTRATION: 13.6 MG/ML, pH 7.4
|
Resolution 1.85 Å R-free 0.240 |
| 5IEV Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2 Deposited 2016-02-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | R0N Roniciclib × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293.15 K；7.25% PEG 4000, 0.2M ammonium acetate, 100mM Hepes pH 7.8
|
Resolution 2.03 Å R-free 0.262 |
| 5IEX Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2 Deposited 2016-02-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 6AF (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293.15 K；10% PEG 3350, 0.2M ammonium acetate, 100mM HEPES pH 7.8
|
Resolution 2.03 Å R-free 0.254 |
| 5IEY Crystal structure of a CDK inhibitor bound to CDK2 Deposited 2016-02-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 6AE 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；293.15 K；7.25% PEG 4000, 0.2 M ammonium acetate, 0.2 M HEPES pH 7.8
|
Resolution 1.66 Å R-free 0.225 |
| 5IF1 Crystal structure apo CDK2/cyclin A Deposited 2016-02-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 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 |
| 5JQ5 Crystal structure of CDK2 in complex with inhibitor ICEC0942 Deposited 2016-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | ACT ACETATE ION × 1 I74 (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；0.1M AMMONIUM ACETATE, PH 7.8, 6% PEG 3350
|
Resolution 1.94 Å R-free 0.241 |
| 5JQ8 Crystal structure of CDK2 in complex with inhibitor ICEC0943 Deposited 2016-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | I73 (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；0.1M AMMONIUM ACETATE, PH 7.8, 6% PEG 3350
|
Resolution 1.94 Å R-free 0.260 |
| 5K4J Crystal Structure of CDK2 in complex with compound 22 Deposited 2016-05-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 6QB 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；20% PEG 4K, 50 mM Hepes pH7.5, 50 mM Ammonia Acetate
|
Resolution 1.60 Å R-free 0.223 |
| 5L2W The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. Deposited 2016-08-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1QK 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；286.15 K；PEG20K, 180mM Mg(HCO2)2, 0.1M MES pH 6.0
|
Resolution 2.80 Å R-free 0.246 |
| 5LMK Structure of phopsho-CDK2-cyclin A in complex with an ATP-competitive inhibitor Deposited 2016-08-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–296（296 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 5MHQ CCT068127 in complex with CDK2 Deposited 2016-11-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8QT (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；10mg/ml CDK2
10% V/V PEG3350, 50 mM HEPES/NAOH, 50 mM NA/K PHOSPHATE, pH 7.5.
|
Resolution 1.30 Å R-free 0.226 |
| 5NEV CDK2/Cyclin A in complex with compound 73 Deposited 2017-03-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 5OO0 Cdk2(WT) covalent adduct with D28 at C177 Deposited 2017-08-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 9YZ methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；294 K；15% w/v Jeffamine ED-2003, 50 mM HEPES, 50 mM sodium/potassium phosphate
|
Resolution 1.60 Å R-free 0.200 |
| 5OO1 Cdk2(F80C, C177A) covalent adduct with C37 at F80C Deposited 2017-08-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Mutation：F80C, C177A | 9Z2 ~{N}-(4-pyrimidin-2-ylphenyl)propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；15% w/v Jeffamine ED-2003, 50 mM HEPES, 50 mM sodium/potassium phosphate
|
Resolution 2.00 Å R-free 0.236 |
| 5OO3 Cdk2(F80C, C177A) with covalent ligand at F80C Deposited 2017-08-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 9ZB 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；9 - 15% w/v, 50 mM HEPES, 50 mM sodium/potassium phosphate
|
Resolution 1.73 Å R-free 0.249 |
| 5OSJ Cdk2(WT) with covalent adduct at C177 Deposited 2017-08-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | AAK ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；15% w/v Jeffamine ED-2003, 50 mM HEPES, 50 mM sodium/potassium phosphate
|
Resolution 1.83 Å R-free 0.222 |
| 5OSM Cdk2(F80C, C177A) with covalent adduct at C80 Deposited 2017-08-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Mutation：F80C, C177A | AEQ methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；15% w/v Jeffamine ED-2003, 50 mM HEPES, 50 mM sodium/potassium phosphate
|
Resolution 1.77 Å R-free 0.206 |
| 5UQ1 Crystal structure of human Cdk2-Spy1 complex Deposited 2017-02-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；295 K；1M lithium chloride, 12% PEG 6000, and 0.1M MES pH 6.2, harvested and flash frozen in the same solution with 20% PEG 200.
|
Resolution 3.20 Å R-free 0.261 |
| 5UQ1 Crystal structure of human Cdk2-Spy1 complex Deposited 2017-02-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；295 K；1M lithium chloride, 12% PEG 6000, and 0.1M MES pH 6.2, harvested and flash frozen in the same solution with 20% PEG 200.
|
Resolution 3.20 Å R-free 0.261 |
| 5UQ2 Crystal structure of human Cdk2-Spy1 complex Deposited 2017-02-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；1M lithium chloride, 12% PEG 6000, and 0.1M MES pH 6.2
|
Resolution 2.70 Å R-free 0.275 |
| 5UQ3 Crystal structure of human Cdk2-Spy1-P27 ternary complex Deposited 2017-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；5% PEG 6000, 0.1M MES pH 5.0
|
Resolution 3.60 Å R-free 0.324 |
| 6ATH Cdk2/cyclin A/p27-KID-deltaC Deposited 2017-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 6GUB CDK2/CyclinA in complex with Flavopiridol Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | F9Z 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；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), 0.5mM Inhibitor
|
Resolution 2.52 Å R-free 0.238 |
| 6GUB CDK2/CyclinA in complex with Flavopiridol Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | F9Z 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；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), 0.5mM Inhibitor
|
Resolution 2.52 Å R-free 0.238 |
| 6GUC CDK2/CyclinA in complex with SU9516 Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SU9 (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；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), 0.5mM Inhibitor
|
Resolution 2.00 Å R-free 0.223 |
| 6GUC CDK2/CyclinA in complex with SU9516 Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SU9 (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；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), 0.5mM Inhibitor
|
Resolution 2.00 Å R-free 0.223 |
| 6GUE CDK2/CyclinA in complex with AZD5438 Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FB8 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；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), 0.5mM Inhibitor
|
Resolution 1.99 Å R-free 0.234 |
| 6GUE CDK2/CyclinA in complex with AZD5438 Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FB8 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；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), 0.5mM Inhibitor
|
Resolution 1.99 Å R-free 0.234 |
| 6GUF CDK2/CyclinA in complex with CGP74514A Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 23D N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；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), 0.5mM Inhibitor
|
Resolution 2.65 Å R-free 0.255 |
| 6GUF CDK2/CyclinA in complex with CGP74514A Deposited 2018-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 23D N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；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), 0.5mM Inhibitor
|
Resolution 2.65 Å R-free 0.255 |
| 6GUH CDK2 in complex with AZD5438 Deposited 2018-06-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | FB8 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.50 Å R-free 0.243 |
| 6GUK CDK2 in complex with CGP74514A Deposited 2018-06-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | FC8 ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.30 Å R-free 0.232 |
| 6GVA CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 Deposited 2018-06-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 6INL Crystal structure of CDK2 IN complex with Inhibitor CVT-313 Deposited 2018-10-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | AJR 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1M Tris pH 8.0, 0.1M NaCl, 20% PEG monomethyl ether 550
|
Resolution 1.75 Å R-free 0.250 |
| 6JGM Crystal structure of CDK2 IN complex with Inhibitor NU-6140 Deposited 2019-02-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | AQG 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M Tris pH 8.0, 0.1M NaCl, 20% PEG monomethyl ether 550
|
Resolution 2.30 Å R-free 0.290 |
| 6OQI CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) Deposited 2019-04-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：kinase domain
|
Not recorded | N14 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；292 K；10-12% PEG 4K, 50 mM Hepes pH7.5, 50 mM Ammonia Acetate
|
Resolution 2.00 Å R-free 0.241 |
| 6P3W Crystal structure of the Cyclin A-CDK2-ORC1 complex Deposited 2019-05-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 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 |
| 6Q3B CDK2 in complex with FragLite2 Deposited 2018-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | PYZ 4-IODOPYRAZOLE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM
HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.11 Å R-free 0.249 |
| 6Q3C CDK2 in complex with FragLite1 Deposited 2018-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BYZ 4-bromo-1H-pyrazole × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5.
|
Resolution 1.29 Å R-free 0.178 |
| 6Q3F CDK2 in complex with FragLite2 Deposited 2018-12-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEW 4-bromanylpyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5.
|
Resolution 1.18 Å R-free 0.189 |
| 6Q48 CDK2 in complex with FragLite7 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 HHQ 4-iodanyl-3~{H}-pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM
HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.03 Å R-free 0.214 |
| 6Q49 CDK2 in complex with FragLite6 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 HGQ 4-bromanyl-1~{H}-pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.00 Å R-free 0.197 |
| 6Q4A CDK2 in complex with FragLite14 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HGW 5-iodanylpyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.13 Å R-free 0.220 |
| 6Q4B CDK2 in complex with FragLite13 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HHN 5-bromanylpyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.12 Å R-free 0.203 |
| 6Q4C CDK2 in complex with FragLite16 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HH8 4-bromanyl-1,8-naphthyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.73 Å R-free 0.223 |
| 6Q4D CDK2 in complex with FragLite31 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.07 Å R-free 0.177 |
| 6Q4E CDK2 in complex with FragLite33 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 2 HH5 6-iodanyl-7~{H}-purin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.06 Å R-free 0.205 |
| 6Q4F CDK2 in complex with FragLite32 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 26D PYRIDINE-2,6-DIAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.21 Å R-free 0.205 |
| 6Q4G CDK2 in complex with FragLite37 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HJK 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 0.98 Å R-free 0.211 |
| 6Q4H CDK2 in complex with FragLite36 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HGH 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.00 Å R-free 0.207 |
| 6Q4I CDK2 in complex with FragLite35 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 HGK 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.11 Å R-free 0.192 |
| 6Q4J CDK2 in complex with FragLite34 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 2 HHB 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.05 Å R-free 0.186 |
| 6Q4K CDK2 in complex with FragLite38 Deposited 2018-12-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | HHW (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.06 Å R-free 0.162 |
| 6RIJ CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436 Deposited 2019-04-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
1–298（298 aa）
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 6YL1 Cdk2(F80C) with Covalent Adduct TK37 at F80C Deposited 2020-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Mutation：F80C, C177A | OWN methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Protein: 8 mg/mL in pH 6.2 phosphate buffer
Resovoir: 8-12% PEG3350, HEPES 0.1 M (pH 7.5-8.5)
1:1
|
Resolution 1.66 Å R-free 0.269 |
| 6YL6 Cdk2(F80C) Deposited 2020-04-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；Protein solution: 8 mg/mL, 100 mM phosphate buffer (pH6.2)
Reservoir solution: 8-12% PEG3350, HEPES (0.1 M pH 7.5 - 8.5)
|
Resolution 1.70 Å |
| 6YLK Cdk2(F80C) with Covalent Adduct TK22 at F80C Deposited 2020-04-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Mutation：F80C, C177A | OY2 methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；Protein solution: 8 mg/mL in 100 mM pH 6.2 phosphate buffer
Reservoir solution: 8-12% PEG3350, 100 mM HEPES pH 7.5-8.15
|
Resolution 1.65 Å R-free 0.265 |
| 7ACK CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor Deposited 2020-09-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 × 12 PDB declaration: dodecameric |
Chain L
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 × 7 PDB declaration: heptameric |
Chain L
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 7E34 Crystal structure of SUN1-Speedy A-CDK2 Deposited 2021-02-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
2–298（297 aa）
|
Not recorded | GOL GLYCEROL × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.15M ammonium citrate tribasic, pH7.0, 12% PEG 3350
|
Resolution 3.19 Å R-free 0.300 |
| 7KJS Crystal structure of CDK2/cyclin E in complex with PF-06873600 Deposited 2020-10-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | WG1 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；294.15 K；0.1 M MES pH 6, .18 M magnesium formate, and 9.0 % (w/v) PEG 20000
|
Resolution 2.19 Å R-free 0.278 |
| 7M2F CDK2 with compound 14 inhibitor with carboxylate Deposited 2021-03-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | YOS [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；290 K；20% PEG 10K, 0.1M HEPES
|
Resolution 1.63 Å R-free 0.258 |
| 7MKX Crystal Structure Analysis of human CDK2 and CCNA2 complex Deposited 2021-04-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 7NVQ Aerosol-soaked human cdk2 crystals with Staurosporine Deposited 2021-03-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | STU STAUROSPORINE × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；278 K；10% PEG3350, 0.1M MES pH 7.0
|
Resolution 2.05 Å R-free 0.288 |
| 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 7RA5 CDK2 IN COMPLEX WITH COMPOUND 4 Deposited 2021-06-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：KINASE DOMAIN
|
Not recorded | 3I3 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；PEG3350, MES pH 7
|
Resolution 1.67 Å R-free 0.274 |
| 7RWE Crystal structure of CDK2 liganded with compound GPHR787 Deposited 2021-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 7TH 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5mg/mL CDK2 protein crystalized at 0.1M Hepes Na, pH7.5, 10%PEG3350 condition, then soaked with 10mM GPHR787 for 24 hours
|
Resolution 1.59 Å R-free 0.238 |
| 7RWF Crystal structure of CDK2 in complex with TW8672 Deposited 2021-08-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：kinase domain
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 7TW 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；4.5mg/mL, 15% Jeffamine ED-2001, 0.1M HEPES pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.50 Å R-free 0.209 |
| 7RXO Crystal structure of CDK2 liganded with compound WN333 Deposited 2021-08-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 80E 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5mg/mL of CDK2 protein crystalized in 50mM sodium/potassium phosphate, 50mM Hepes Na, pH 7.5, 7.5%PEG3350, then soak in 1mM WN333 for 48hours at 0.1M Hepes Na, pH7.5, 15%PEG3350
|
Resolution 1.38 Å R-free 0.233 |
| 7S4T Crystal structure of CDK2 liganded with compound EF2252 Deposited 2021-09-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 88O 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5mg/mL CDK2,1mM EF2252 soaking 48hours at 0.1M Hepes Na, pH7.5, 10%(v/v)PEG3350
|
Resolution 1.91 Å R-free 0.218 |
| 7S7A Crystal structure of CDK2 liganded with compound EF3019 Deposited 2021-09-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 8FI 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5mg/mL CDK2 protein crystalized under 25mM Na/K phosphate, 25mM Hepes Na, pH 7.5, 5% v/v PEG3350 was soaked overnight with 5mM EF3109 in 50mM Hepes Na, pH 7.5, 10% v/v PEG3350
|
Resolution 1.70 Å R-free 0.238 |
| 7S84 Crystal structure of CDK2 liganded with compound TW8972 Deposited 2021-09-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 8IL 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5mg/mL CDK2 crystalized in 50mM Na/K phosphate, 50mM Hepes Na, pH7.5 5% v/v PEG3350, soaked for overnight in 5mM TW8972 in 0.1M HEPES Na pH7.5 10% v/v PEG3350
|
Resolution 2.00 Å R-free 0.244 |
| 7S85 Crystal structure of CDK2 liganded with compound WN316 Deposited 2021-09-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 8IQ 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5 mg/mL CDK2 protein crystalized in 50 mM sodium/potassium phosphate, 50 mM HEPES, pH 7.5, 5% v/v PEG3350, soaked overnight in 5 mM WN316 in 50 mM HEPES Na, 10% v/v PEG3350
|
Resolution 1.98 Å R-free 0.252 |
| 7S9X Crystal structure of CDK2 liganded with compound WN378 Deposited 2021-09-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | 8KF 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5 mg/mL CDK2 crystalized in 50 mM sodium/potassium phosphate, 50 mM HEPES, pH 7.5, 5% v/v PEG3350, soaked overnight in 1 mM WN378 in 50 mM phosphate, 50 mM HEPES Na, 10% v/v PEG3350
|
Resolution 1.69 Å R-free 0.262 |
| 7SA0 Crystal structure of CDK2 liganded with compound EF4195 Deposited 2021-09-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 8KQ 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；4.5mg/mL CDK2 crystalized in 50mM Na/KPO4, pH6.9, 50mM Hepes Na, pH7.5, 5% v/v PEG3350 were soaked overnight with 2.5mM EF4195 in 50mM Hepes Na, pH7.5, 10% v/v PEG3350
|
Resolution 1.59 Å R-free 0.219 |
| 7UG1 CDK2 liganded with para chloro ANS Deposited 2022-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | N5R 8-(4-chloroanilino)naphthalene-1-sulfonic acid × 2 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；50 mM sodium/potassium phosphate, pH 7.5, 50 mM HEPES, pH 7.5, 5% v/v PEG3350
|
Resolution 1.84 Å R-free 0.242 |
| 7UXI Structure of CDK2 in complex with FP19711, a Helicon Polypeptide Deposited 2022-05-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | NH2 AMINO GROUP × 1 WHL N,N'-(1,4-phenylene)diacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.1 M Tris pH 8.5, 25% w/v PEG 2,000MME
|
Resolution 2.07 Å R-free 0.264 |
| 7UXK Structure of CDK2 in complex with FP24322, a Helicon Polypeptide Deposited 2022-05-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 WHL N,N'-(1,4-phenylene)diacetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；Crystallization buffer: 0.1 M BICINE pH 9.2, 2% v/v 1,4-Dioxane, 6% w/v PEG 20000
|
Resolution 2.63 Å R-free 0.300 |
| 7VDU The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 Deposited 2021-09-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
Fragment：KINASE DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 65L [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；12% (w/v) PEG 3350, 0.10 M MES pH=7.00
|
Resolution 1.53 Å R-free 0.217 |
| 7ZPC CDK2 in complex 9K-DOS Deposited 2022-04-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | JLC ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；10MG/ML CDK2 10% V/V PEG3350, 50 MM
HEPES/NAOH, 50 MM NA/K PHOSPHATE, PH 7.5
|
Resolution 1.40 Å R-free 0.221 |
| 8B54 CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768 Deposited 2022-09-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 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 × 7 PDB declaration: heptameric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å |
| 8CUR Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid Deposited 2022-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | OW6 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；0.2 M sodium chloride, 0.1 M MES, pH 6.0, 20% PEG6000
|
Resolution 2.20 Å R-free 0.267 |
| 8ERD Cyclin-free CDK2 in complex with Cpd17 Deposited 2022-10-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | WQ6 (2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；15-20% PEG 4K,
50mM Hepes pH 7.5
50mM Ammonium Acetate
|
Resolution 1.33 Å R-free 0.230 |
| 8ERN Cyclin-free CDK2 in complex with Cpd21 Deposited 2022-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | GOL GLYCEROL × 1 WQK N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；15-20% PEG 4K,
50mM Hepes pH 7.5
50mM Ammonium Acetate
|
Resolution 1.64 Å R-free 0.250 |
| 8FOW Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib Deposited 2023-01-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 1QK 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium × 1 7TW 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10% PEG 3350, 20% ethylene glycol, 50mM HEPES, pH 7.5
|
Resolution 1.60 Å R-free 0.221 |
| 8FP0 Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine Deposited 2023-01-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 RRC R-ROSCOVITINE × 1 7TW 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10% PEG 3350, 20% ethylene glycol, 50mM HEPES, pH 7.5
|
Resolution 1.60 Å R-free 0.240 |
| 8FP5 CDK2 liganded with ATP and Mg2+ Deposited 2023-01-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10% PEG 3350, 10% ethylene glycol, 50mM HEPES, pH 7.5
|
Resolution 1.70 Å R-free 0.230 |
| 8H6P Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor Deposited 2022-10-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | WZU (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2 M sodium citrate pH 6.5, 10% PEG3350
|
Resolution 2.44 Å R-free 0.292 |
| 8H6T Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor Deposited 2022-10-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–297（297 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | WZZ (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.2 M sodium citrate pH 6.5, 10% PEG3350
|
Resolution 3.00 Å R-free 0.358 |
| 8OR0 CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 Deposited 2023-04-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric |
Chain H
1–298（298 aa）
|
Not recorded | ZN ZINC ION × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 8OR4 Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 Deposited 2023-04-13 | 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 × 7 PDB declaration: heptameric |
Chain H
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 8OY2 Human cyclin-dependent kinase 2 in complex with inhibitor HB-29260 Deposited 2023-05-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | W5W (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；MES pH7.0, PEG3350, ammonium acetate
|
Resolution 2.62 Å R-free 0.283 |
| 8ROZ Cryo-EM structure of CDK2-cyclin A in complex with CDC25A Deposited 2024-01-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4；50 mM HEPES, 200 mM NaCl, 1 mM DTT, pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 8RU8 A crystal form of a human CDK2-CDK7 chimera Deposited 2024-01-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | I74 (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；12% 1,2-Propanediol
.12% 1,3-Propanediol
.12% 1,4-Butanediol
.12M 1,6-Hexanediol
.12% 1-Butanol
.12% 2-Propanol
30% MPEG 500
10% PEG 20000
.1M pH=7.5 MOPS/NaHEPES
|
Resolution 1.51 Å R-free 0.241 |
| 8UV0 Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2 Deposited 2023-11-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–298（297 aa）
|
Not recorded | XKU 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris pH 8.5, 16% PEG 2000 MME, 0.2 M trimethylamine N-oxide
|
Resolution 1.55 Å R-free 0.203 |
| 8VQ3 CDK2-CyclinE1 in complex with allosteric inhibitor I-198. Deposited 2024-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1AC4 (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；0.21 M sodium citrate tribasic dihydrate, 19.09% PEG3350
|
Resolution 1.84 Å R-free 0.217 |
| 8VQ4 CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. Deposited 2024-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1AC5 (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；294 K；0.21 M sodium citrate tribasic dihydrate, 19.5% PEG3350
|
Resolution 1.90 Å R-free 0.219 |
| 8YNG CDK2 and compounds and inhibors Deposited 2024-03-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1D6S 8-(1-methylpiperidin-4-yl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350,Hepes 7.4
|
Resolution 1.82 Å R-free 0.235 |
| 8YPW CDK2 and small molecular inhibitor L14 Deposited 2024-03-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1D6Z methyl 3-[4-[3-[[3-[(1-ethylsulfonylpiperidin-4-yl)carbamoyl]-1~{H}-pyrazol-4-yl]carbamoyl]-2,4-bis(fluoranyl)phenyl]piperidin-1-yl]-3-oxidanylidene-propanoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；289 K；PEG3350,Hepes 7.4
|
Resolution 1.80 Å R-free 0.220 |
| 8YQE CDK2 and small molecular inhibitor L56 Deposited 2024-03-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1D60 4-[[2,6-bis(fluoranyl)-3-(oxan-4-yl)phenyl]carbonylamino]-~{N}-(1-ethylsulfonylpiperidin-4-yl)-1~{H}-pyrazole-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；289 K；PEG3350,Hepes 7.4
|
Resolution 1.94 Å R-free 0.242 |
| 9BJC Crystal structure of CDK2/Cyclin E1 in complex with XC208 Deposited 2024-04-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1AQZ (5aS,6S,7S)-3,7-dihydroxy-6-methoxy-1,4,6,9-tetramethyl-6,7-dihydrodibenzo[b,f][1,4]oxazepine-8,11(5aH,10H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1M Tris pH 7.5,
3.6M NaCl
|
Resolution 2.22 Å R-free 0.213 |
| 9D0U Crystal structure of CDK2 in complex with Cpd 2 Deposited 2024-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1A1H 6-chloro-8-cyclopentyl-2-[4-(ethanesulfonyl)-2-methylanilino]pyrido[2,3-d]pyrimidin-7(8H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；16% PEG 20000
|
Resolution 2.60 Å R-free 0.260 |
| 9D0V Crystal structure of CDK2/CyclinE1 in complex with Cpd 2 Deposited 2024-08-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1A1H 6-chloro-8-cyclopentyl-2-[4-(ethanesulfonyl)-2-methylanilino]pyrido[2,3-d]pyrimidin-7(8H)-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M Bis-Tris pH 6.5, 3.0 M Sodium Chloride, 25% glycerol.
|
Resolution 2.54 Å R-free 0.231 |
| 9D0W Cryo-EM structure of CDK2/CyclinE1 in complex with CRBN/DDB1 and Cpd 4 Deposited 2024-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 A1A1I (3R)-3-(5-{4-[(2-{4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylbenzene-1-sulfonyl}-7-azaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl}-4-fluoro-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.95 Å |
| 9D0X Cryo-EM structure of CDK2/CyclinE1 in complex with CRBN/DDB1 and Cpd 4 (local mask) Deposited 2024-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 A1A1I (3R)-3-(5-{4-[(2-{4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylbenzene-1-sulfonyl}-7-azaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl}-4-fluoro-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.84 Å |
| 9ESJ CDK2-cyclin A in complex with FragLite 31 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.37 Å R-free 0.223 |
| 9ESJ CDK2-cyclin A in complex with FragLite 31 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.37 Å R-free 0.223 |
| 9ESK CDK2-cyclin A in complex with FragLite 30 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | W3D (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.217 |
| 9ESK CDK2-cyclin A in complex with FragLite 30 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | W3D (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.217 |
| 9ESL CDK2-cyclin A in complex with FragLite 29 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V3U 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.220 |
| 9ESL CDK2-cyclin A in complex with FragLite 29 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | V3U 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.220 |
| 9ESN CDK2-cyclin A in complex with FragLite 28 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.213 |
| 9ESN CDK2-cyclin A in complex with FragLite 28 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.213 |
| 9ESO CDK2-cyclin A in complex with FragLite 27 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | W3A (4-bromo-1H-pyrazol-1-yl)acetic acid × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.221 |
| 9ESO CDK2-cyclin A in complex with FragLite 27 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | W3A (4-bromo-1H-pyrazol-1-yl)acetic acid × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.221 |
| 9ESP CDK2-cyclin A in complex with FragLite 26 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UUV 4-bromo-1-(2-methoxyethyl)-1H-pyrazole × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.38 Å R-free 0.212 |
| 9ESP CDK2-cyclin A in complex with FragLite 26 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UUV 4-bromo-1-(2-methoxyethyl)-1H-pyrazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.38 Å R-free 0.212 |
| 9ESQ CDK2-cyclin A in complex with FragLite 24 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IT4 4-bromanyl-2-oxidanyl-benzoic acid × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.38 Å R-free 0.210 |
| 9ESQ CDK2-cyclin A in complex with FragLite 24 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IT4 4-bromanyl-2-oxidanyl-benzoic acid × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.38 Å R-free 0.210 |
| 9ESR CDK2-cyclin A in complex with FragLite 23 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UU1 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.227 |
| 9ESR CDK2-cyclin A in complex with FragLite 23 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UU1 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.227 |
| 9ESS CDK2-cyclin A in complex with FragLite 22 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UUG (4-bromo-2-methoxyphenyl)methanol × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.44 Å R-free 0.219 |
| 9ESS CDK2-cyclin A in complex with FragLite 22 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UUG (4-bromo-2-methoxyphenyl)methanol × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.44 Å R-free 0.219 |
| 9ESU CDK2-cyclin A in complex with FragLite 20 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJU 4-bromanyl-2-(methoxymethyl)pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.216 |
| 9ESU CDK2-cyclin A in complex with FragLite 20 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJU 4-bromanyl-2-(methoxymethyl)pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.216 |
| 9ESV CDK2-cyclin A in complex with FragLite 19 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 3Z7 4-bromo-2-methoxyphenol × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.229 |
| 9ESV CDK2-cyclin A in complex with FragLite 19 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 3Z7 4-bromo-2-methoxyphenol × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.229 |
| 9ESW CDK2-cyclin A in complex with FragLite 18 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJF (4-bromanylpyridin-2-yl)methanol × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.38 Å R-free 0.239 |
| 9ESW CDK2-cyclin A in complex with FragLite 18 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJF (4-bromanylpyridin-2-yl)methanol × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.38 Å R-free 0.239 |
| 9ESX CDK2-cyclin A in complex with FragLite 17 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1H6Y 1-bromanyl-4-methylsulfonyl-benzene × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.37 Å R-free 0.229 |
| 9ESX CDK2-cyclin A in complex with FragLite 17 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1H6Y 1-bromanyl-4-methylsulfonyl-benzene × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.37 Å R-free 0.229 |
| 9ESY CDK2-cyclin A in complex with FragLite 16 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HH8 4-bromanyl-1,8-naphthyridine × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.262 |
| 9ESY CDK2-cyclin A in complex with FragLite 16 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HH8 4-bromanyl-1,8-naphthyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.262 |
| 9ESZ CDK2-cyclin A in complex with FragLite 14 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HGW 5-iodanylpyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.42 Å R-free 0.213 |
| 9ESZ CDK2-cyclin A in complex with FragLite 14 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HGW 5-iodanylpyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.42 Å R-free 0.213 |
| 9ET0 CDK2-cyclin A in complex with FragLite 13 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HHN 5-bromanylpyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.24 Å R-free 0.239 |
| 9ET0 CDK2-cyclin A in complex with FragLite 13 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HHN 5-bromanylpyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.24 Å R-free 0.239 |
| 9ET1 CDK2-cyclin A in complex with FragLite 12 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJL 4-iodanylbenzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.228 |
| 9ET1 CDK2-cyclin A in complex with FragLite 12 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJL 4-iodanylbenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.39 Å R-free 0.228 |
| 9ET2 CDK2-cyclin A in complex with FragLite 11 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJX ~{N}-(4-bromophenyl)ethanamide × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.37 Å R-free 0.231 |
| 9ET2 CDK2-cyclin A in complex with FragLite 11 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IJX ~{N}-(4-bromophenyl)ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.37 Å R-free 0.231 |
| 9ET3 CDK2-cyclin A in complex with FragLite 10 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1P8 6-bromo-1,3-dihydro-2H-indol-2-one × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.34 Å R-free 0.221 |
| 9ET3 CDK2-cyclin A in complex with FragLite 10 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1P8 6-bromo-1,3-dihydro-2H-indol-2-one × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.34 Å R-free 0.221 |
| 9ET4 CDK2-cyclin A in complex with FragLite 9 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1H6X 4-iodanylbenzenesulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.64 Å R-free 0.222 |
| 9ET4 CDK2-cyclin A in complex with FragLite 9 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1H6X 4-iodanylbenzenesulfonamide × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.64 Å R-free 0.222 |
| 9ET5 CDK2-cyclin A in complex with FragLite 8 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T5G 4-bromobenzene-1-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.53 Å R-free 0.221 |
| 9ET5 CDK2-cyclin A in complex with FragLite 8 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T5G 4-bromobenzene-1-sulfonamide × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.53 Å R-free 0.221 |
| 9ET6 CDK2-cyclin A in complex with FragLite 7 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HHQ 4-iodanyl-3~{H}-pyridin-2-one × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.55 Å R-free 0.239 |
| 9ET6 CDK2-cyclin A in complex with FragLite 7 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HHQ 4-iodanyl-3~{H}-pyridin-2-one × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.55 Å R-free 0.239 |
| 9ET7 CDK2-cyclin A in complex with FragLite 6 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HGQ 4-bromanyl-1~{H}-pyridin-2-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.31 Å R-free 0.271 |
| 9ET7 CDK2-cyclin A in complex with FragLite 6 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HGQ 4-bromanyl-1~{H}-pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.31 Å R-free 0.271 |
| 9ET8 CDK2-cyclin A in complex with FragLite 5 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IIS 4-iodanylpyridin-2-amine × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.31 Å R-free 0.242 |
| 9ET8 CDK2-cyclin A in complex with FragLite 5 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IIS 4-iodanylpyridin-2-amine × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.31 Å R-free 0.242 |
| 9ET9 CDK2-cyclin A in complex with FragLite 4 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEW 4-bromanylpyridin-2-amine × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.49 Å R-free 0.246 |
| 9ET9 CDK2-cyclin A in complex with FragLite 4 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HEW 4-bromanylpyridin-2-amine × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.49 Å R-free 0.246 |
| 9ETA CDK2-cyclin A in complex with FragLite 3 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7ZX 4-bromanyl-1,2-oxazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.51 Å R-free 0.240 |
| 9ETA CDK2-cyclin A in complex with FragLite 3 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7ZX 4-bromanyl-1,2-oxazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.51 Å R-free 0.240 |
| 9ETB CDK2-cyclin A in complex with FragLite 2 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PYZ 4-IODOPYRAZOLE × 4 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.76 Å R-free 0.228 |
| 9ETB CDK2-cyclin A in complex with FragLite 2 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PYZ 4-IODOPYRAZOLE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.76 Å R-free 0.228 |
| 9ETP CDK2-cyclin A in complex with FragLite 1 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BYZ 4-bromo-1H-pyrazole × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.48 Å R-free 0.231 |
| 9ETP CDK2-cyclin A in complex with FragLite 1 Deposited 2024-03-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BYZ 4-bromo-1H-pyrazole × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；Protein at 10 mg/ml. 0.6 to 0.8 M KCl, 0.9 to 1.2 M (NH4)2SO4, and 100 mM HEPES pH 7.0
|
Resolution 2.48 Å R-free 0.231 |
| 9FR2 CDK2 in complex with WEIZ-WX-04-001 Deposited 2024-06-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1IE9 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293.15 K；25% PEG3350 -- 0.1M HEPES pH 7.5
|
Resolution 1.60 Å R-free 0.223 |
| 9GLA Crystal structure of a CDK2-based CDK7 mimic with inhibitor SY5609 Deposited 2024-08-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 |
| 9GNO Crystal structure of CDK2 bound by compound 4 Deposited 2024-09-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1INI (2R)-2-[(9-isopropyl-6-{[(3S)-1-(methylsulfonyl)-3-pyrrolidinyl]amino}-9H-purin-2-yl)amino]-3-methyl-1-butanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8.5% PEG3350, 0.1M HEPES pH 7.5
|
Resolution 1.16 Å R-free 0.225 |
| 9GOP Crystal structure of CDK2-cyclin E1 bound by compound 30 Deposited 2024-09-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | A1IOI 2-[(2~{S})-1-[9-ethyl-6-[(2-methyl-5-methylsulfonyl-pyrazol-3-yl)amino]purin-2-yl]-4,4-bis(fluoranyl)pyrrolidin-2-yl]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8-15 % PEG3350, 0.2M Na3Cit pH 8.0
|
Resolution 2.16 Å R-free 0.271 |
| 9GP3 Crystal structure of CDK2-cyclin E1 bound by compound 11 (AZD8421) Deposited 2024-09-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | A1IOP (3~{S})-~{N}-ethyl-3-[[9-ethyl-2-[[(2~{R},3~{S})-2-oxidanylpentan-3-yl]amino]purin-6-yl]amino]pyrrolidine-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8-15% PEG3350 / 0.2M Na3Cit pH8.0
|
Resolution 2.45 Å R-free 0.273 |
| 9HIU Cryo-EM structure of CDK2-cyclin A bound to a GMNC peptide Deposited 2024-11-27 | 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 × 3 PDB declaration: trimeric |
Chain B
1–297（297 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 mutation/modification Different oligomeric state 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
1–297（297 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 |
| 9HJ1 Cryo-EM structure of CDK2-cyclin A bound to a SCAPER peptide Deposited 2024-11-27 | 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 × 3 PDB declaration: trimeric |
Chain B
1–297（297 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å |
| 9I9J Cryo-EM structure of CAK-CDK2 (determined in the presence of ADP-nitrate) Deposited 2025-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain K
1–298（298 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å |
| 9I9K Cryo-EM structure of CAK-CDK2 (determined in the presence of ADP-AlFx) Deposited 2025-02-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain K
1–298（298 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 4 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.40 Å |
| 9JJ5 CDK2 and its inhibitor DC56 Deposited 2024-09-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1EB0 ~{N}-(4-azanylcyclohexyl)-4-[[2,6-bis(fluoranyl)-3-[4-(methylcarbamoyl)phenyl]phenyl]carbonylamino]-1~{H}-pyrazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；PEG3350,Hepes 7.4
|
Resolution 1.71 Å R-free 0.244 |
| 9NYQ Crystal structure of CDK2/CyclinE1 in complex with Cpd 3 Deposited 2025-03-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1B7H 4-({4-[(1s,4s)-4-hydroxy-4-methylcyclohexyl]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-N,3-dimethylbenzene-1-sulfonamide × 1 CIT CITRIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tri-Ammonium citrate, pH7.0,13% PEG3350
|
Resolution 2.85 Å R-free 0.264 |
| 9NYR Cryo-EM structure of CDK2/CyclinE1 in complex with CRBN/DDB1 and Cpd 24 Deposited 2025-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1B7G N-{(1R,4S)-4-[(4-{3-chloro-4-[(3R)-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-yl]phenyl}piperazin-1-yl)methyl]cyclohexyl}-4-({4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-3-methylbenzene-1-sulfonamide × 1 ZN ZINC ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；50mM HEPES, pH 7.5, 150mM NaCl, 2mM TCEP, 2 mM FFC8, protein = 13.4 mg/ml
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.90 Å |
| 9OB2 CDK2/CyclinE bound to compound 11 with P-loop in the EE and CC conformations Deposited 2025-04-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1CAE (1R,3R)-3-(3-{2-[4-(methanesulfonyl)phenyl]acetamido}-1H-pyrazol-5-yl)cyclopentyl (1-methylcyclopropyl)carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.115 M Sodium Citrate, 15% PEG 3350
|
Resolution 2.12 Å R-free 0.254 |
| 9OB3 CDK2/CyclinE bound to compound 16 with P-loop in the EE conformation Deposited 2025-04-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1CAH (1R,3R)-3-{3-[(pyrazine-2-carbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.115 M Sodium Citrate, 15% PEG 3350
|
Resolution 1.98 Å R-free 0.244 |
| 9OB4 CDK2/CyclinE bound to compound 19 with P-loop in the EE and EC conformations Deposited 2025-04-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1CAF (1R,3R)-3-{3-[(cyclohexanecarbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；P24864
|
Resolution 1.95 Å R-free 0.251 |
| 9OB5 CDK2/CyclinE bound to compound 20 with P-loop in the EE and CC conformations Deposited 2025-04-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1CAG (1R,3R)-3-{3-[3-(pyridin-3-yl)propanamido]-1H-pyrazol-5-yl}cyclopentyl (1-methylcyclopropyl)carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.115 M Sodium Citrate, 15% PEG 3350
|
Resolution 2.10 Å R-free 0.255 |
| 9OB6 CDK2/CyclinE bound to compound 21 with P-loop in the EE and CC conformations Deposited 2025-04-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1CAI (1R,3R)-3-{3-[2-(4-methoxyphenyl)acetamido]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.115 M Sodium Citrate, 15% PEG 3350
|
Resolution 2.00 Å R-free 0.256 |
| 9QCV Cryo-EM structure of CAK-CDK2-cyclin A2 bound to AMP-PNP Deposited 2025-03-05 | 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 × 5 PDB declaration: pentameric |
Chain K
1–298（298 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 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 × 5 PDB declaration: pentameric |
Chain K
1–298（298 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 construct Different mutation/modification 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
1–298（298 aa）
|
Not recorded | NK3 OTS964 × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.9
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.50 Å |
| 9UAU CDK2_LL-DA-3 Deposited 2025-04-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1EOM 1-[2-[6-cyano-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]ethyl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；20% PEG3350,100 mM Hepes(pH = 7.4)
|
Resolution 1.47 Å R-free 0.219 |
| 9UAW LL-DA-4-cdk2 protein Deposited 2025-04-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1EOO 1-[3-[6-cyano-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]propyl]guanidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；300 K；20% PEG 3350, 100 mM Hepes
|
Resolution 1.72 Å R-free 0.249 |
| 9UGF CDK2 small molecule F05 Deposited 2025-04-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–298（298 aa）
|
Not recorded | A1EO5 2-[(1-methylsulfonylpiperidin-4-yl)amino]-8-[1-[[1-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]-1,2,3-triazol-4-yl]methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidin-7-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；15% PEG3350,100mM Hepes 7.4
|
Resolution 1.64 Å R-free 0.252 |
518 other PDB entries and 663 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | CDK2_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 3–299； UniProt 1–297 Author chain C； PDBConstruct 3–299； UniProt 1–297 |
