AURORA KINASE A
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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 125–399 | Fragment：KINASE DOMAIN, RESIDUES 125-399 | QMN ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：pH 7；4% PEG 4000, 50 MM HEPES PH 7 | Resolution 3.20 Å R-free 0.262 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 125–399 | Fragment：KINASE DOMAIN, RESIDUES 125-399 | QMN ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：pH 7；4% PEG 4000, 50 MM HEPES PH 7 | Resolution 3.20 Å R-free 0.262 |
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 4UZD | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1MQ4 Crystal Structure of Aurora-A Protein Kinase Deposited 2002-09-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
Fragment：kinase domain
|
Not recorded | MG MAGNESIUM ION × 2 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；PEG MME550, NaCl, Bicine, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.273 |
| 1MUO CRYSTAL STRUCTURE OF AURORA-2, AN ONCOGENIC SERINE-THREONINE KINASE Deposited 2002-09-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
107–403（297 aa）
Fragment：Aurora-2 kinase domain, Residues 107-403
|
Not recorded | ADN ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；PEG 3350, ammonium sulphate, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.90 Å R-free 0.290 |
| 1OL5 Structure of Aurora-A 122-403, phosphorylated on Thr287, Thr288 and bound to TPX2 1-43 Deposited 2003-08-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 3 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；18% (W/V) PEG8000, 100 MM MES PH 6.5, 200 MM MGSO4
|
Resolution 2.50 Å R-free 0.252 |
| 1OL6 Structure of unphosphorylated D274N mutant of Aurora-A Deposited 2003-08-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Mutation：YES | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.3；20% PEG3350, 190 MM NACL, 10 MM NAH2PO4, 100 MM TRIS PH 7.3
|
Resolution 3.00 Å R-free 0.301 |
| 1OL7 Structure of Human Aurora-A 122-403 phosphorylated on Thr287, Thr288 Deposited 2003-08-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；USING 20% PEG300, 5% PEG8000, 100 MM TRIS 8.5, 10% GLYCEROL, pH 8.50
|
Resolution 2.75 Å R-free 0.296 |
| 2BMC Aurora-2 T287D T288D complexed with PHA-680632 Deposited 2005-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Mutation：YES | MPY (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60
|
Resolution 2.60 Å R-free 0.252 |
| 2BMC Aurora-2 T287D T288D complexed with PHA-680632 Deposited 2005-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Mutation：YES | MPY (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60
|
Resolution 2.60 Å R-free 0.252 |
| 2BMC Aurora-2 T287D T288D complexed with PHA-680632 Deposited 2005-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Mutation：YES | MPY (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60
|
Resolution 2.60 Å R-free 0.252 |
| 2BMC Aurora-2 T287D T288D complexed with PHA-680632 Deposited 2005-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Mutation：YES | MPY (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60
|
Resolution 2.60 Å R-free 0.252 |
| 2BMC Aurora-2 T287D T288D complexed with PHA-680632 Deposited 2005-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Mutation：YES | MPY (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60
|
Resolution 2.60 Å R-free 0.252 |
| 2BMC Aurora-2 T287D T288D complexed with PHA-680632 Deposited 2005-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Mutation：YES | MPY (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60
|
Resolution 2.60 Å R-free 0.252 |
| 2C6D Aurora A kinase activated mutant (T287D) in complex with ADPNP Deposited 2005-11-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
124–398（275 aa）
Fragment：CATALYTIC KINASE DOMAIN RESIDUES 124-398
|
Mutation：YES | GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 3.8；pH 3.80
|
Resolution 2.20 Å R-free 0.280 |
| 2C6E Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor Deposited 2005-11-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：CATALYTIC KINASE DOMAIN, RESIDUES 123-401
|
Mutation：YES | HPM N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.50
|
Resolution 2.10 Å R-free 0.270 |
| 2C6E Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor Deposited 2005-11-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
Fragment：CATALYTIC KINASE DOMAIN, RESIDUES 123-401
|
Mutation：YES | HPM N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；pH 7.50
|
Resolution 2.10 Å R-free 0.270 |
| 2DWB Aurora-A kinase complexed with AMPPNP Deposited 2006-08-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；300 K；25% PEG3350, 0.2M lithium sulfate, 0.1M bis-tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
Resolution 2.50 Å R-free 0.275 |
| 2J4Z Structure of Aurora-2 in complex with PHA-680626 Deposited 2006-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Not recorded | 626 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE × 1 ARS ARSENIC × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；30% PEG 5000MME, 0.2M SODIUM ACETATE 0.1M SODIUM CACODYLATE PH 6.5, 2MM DTT
|
Resolution 2.00 Å R-free 0.249 |
| 2J4Z Structure of Aurora-2 in complex with PHA-680626 Deposited 2006-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
100–403（304 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 100-403
|
Not recorded | 626 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE × 1 ARS ARSENIC × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；30% PEG 5000MME, 0.2M SODIUM ACETATE 0.1M SODIUM CACODYLATE PH 6.5, 2MM DTT
|
Resolution 2.00 Å R-free 0.249 |
| 2J50 Structure of Aurora-2 in complex with PHA-739358 Deposited 2006-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–403（278 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 126-403
|
Not recorded | 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；20% PEG 2000MME, 0.2M LITHIUM SULPHATE, 0.1M SODIUM ACETATE PH 4.6, 2% ISOPROPANOL, 2MM DTT
|
Resolution 3.00 Å R-free 0.268 |
| 2J50 Structure of Aurora-2 in complex with PHA-739358 Deposited 2006-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
126–403（278 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 126-403
|
Not recorded | 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；20% PEG 2000MME, 0.2M LITHIUM SULPHATE, 0.1M SODIUM ACETATE PH 4.6, 2% ISOPROPANOL, 2MM DTT
|
Resolution 3.00 Å R-free 0.268 |
| 2NP8 Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors Deposited 2006-10-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Not recorded | SO4 SULFATE ION × 2 CC3 N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；7% (w/v) PEG 400, 2.2 M ammonium sulfate, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, temperature 293K
|
Resolution 2.25 Å R-free 0.283 |
| 2W1C Structure determination of Aurora Kinase in complex with inhibitor Deposited 2008-10-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–389（268 aa）
Fragment：KINASE DOMAIN, RESIDUES 122-389
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | L0C 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.24 Å R-free 0.288 |
| 2W1D Structure determination of Aurora Kinase in complex with inhibitor Deposited 2008-10-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–389（268 aa）
Fragment：KINASE DOMAIN, RESIDUES 122-389
|
Not recorded | L0D 2-(1H-pyrazol-3-yl)-1H-benzimidazole × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.97 Å R-free 0.308 |
| 2W1E Structure determination of Aurora Kinase in complex with inhibitor Deposited 2008-10-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–389（268 aa）
Fragment：KINASE DOMAIN, RESIDUES 122-389
|
Not recorded | L0E 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.93 Å R-free 0.302 |
| 2W1F Structure determination of Aurora Kinase in complex with inhibitor Deposited 2008-10-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–389（268 aa）
Fragment：RESIDUES 122-389
|
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 2.85 Å R-free 0.348 |
| 2W1G Structure determination of Aurora Kinase in complex with inhibitor Deposited 2008-10-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–389（268 aa）
Fragment：KINASE, RESIDUES 122-389
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | L0G 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.71 Å R-free 0.297 |
| 2WQE Structure of S155R Aurora-A somatic mutant Deposited 2009-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–388（262 aa）
Fragment：RESIDUES 127-388
|
Mutation：YES | ADP ADENOSINE-5'-DIPHOSPHATE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
17% (W/V) PEG3350, 15% (V/V) GLYCEROL
|
Resolution 2.50 Å R-free 0.251 |
| 2WTV Aurora-A Inhibitor Structure Deposited 2009-09-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.8M NAH2PO4 1.2M K2HPO4 0.1M NA ACETATE, PH 4.5
|
Resolution 2.40 Å R-free 0.211 |
| 2WTV Aurora-A Inhibitor Structure Deposited 2009-09-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID × 1 EDO 1,2-ETHANEDIOL × 6 ACT ACETATE ION × 3 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.8M NAH2PO4 1.2M K2HPO4 0.1M NA ACETATE, PH 4.5
|
Resolution 2.40 Å R-free 0.211 |
| 2WTV Aurora-A Inhibitor Structure Deposited 2009-09-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID × 1 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.8M NAH2PO4 1.2M K2HPO4 0.1M NA ACETATE, PH 4.5
|
Resolution 2.40 Å R-free 0.211 |
| 2WTV Aurora-A Inhibitor Structure Deposited 2009-09-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.8M NAH2PO4 1.2M K2HPO4 0.1M NA ACETATE, PH 4.5
|
Resolution 2.40 Å R-free 0.211 |
| 2WTW Aurora-A Inhibitor Structure (2nd crystal form) Deposited 2009-09-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Mutation：YES | ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M MES SODIUM SALT PH6.5, 2.0M AMMONIUM SULFATE, 5%(W/V) PEG 400
|
Resolution 3.30 Å R-free 0.288 |
| 2X6D Aurora-A bound to an inhibitor Deposited 2010-02-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Not recorded | SO4 SULFATE ION × 2 X6D 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
100MM BICINE PH 9.0, 2.0 M AMMONIUM SULFATE
|
Resolution 2.80 Å R-free 0.264 |
| 2X6E Aurora-A bound to an inhibitor Deposited 2010-02-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Not recorded | YM4 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1 M NACL, 0.1 M HEPES, PH 7.5 1.6 M AMMONIUM SULFATE.
|
Resolution 3.35 Å R-free 0.299 |
| 2X81 STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054 Deposited 2010-03-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–391（266 aa）
Fragment：RESIDUES 126-391
|
Not recorded | ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.6；0.2M K2HPO4, 20% PEG3350, 1MM TRIS(HYDROXYPROPYL)PHOSPHINE, pH 7.6
|
Resolution 2.91 Å R-free 0.303 |
| 2XNE Structure of Aurora-A bound to an imidazopyrazine inhibitor Deposited 2010-08-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–392（271 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-392
|
Mutation：YES | ASH 3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.2M SODIUM CITRATE, 20% PEG 3350
|
Resolution 2.80 Å R-free 0.281 |
| 2XNG Structure of Aurora-A bound to a selective imidazopyrazine inhibitor Deposited 2010-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-392
|
Not recorded | A0H N-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å R-free 0.271 |
| 2XRU AURORA-A T288E COMPLEXED WITH PHA-828300 Deposited 2010-09-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–403（278 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 126-403
|
Mutation：YES | 400 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；15% PEG 5000 MME, 0.2 M LITHIUM SULFATE, 0.1 M SODIUM CITRATE PH 5.6 & 2 MM DTT
|
Resolution 2.90 Å R-free 0.344 |
| 3COH Crystal structure of Aurora-A in complex with a pentacyclic inhibitor Deposited 2008-03-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
124–391（268 aa）
Fragment：kinase domain (UNP residues 124-391)
|
Mutation：K124A, Q154N, A203S, R251K, T287A, T288A, E336D | 83H 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M HEPES, pH 7.5, EVAPORATION, temperature 291K
|
Resolution 2.70 Å R-free 0.280 |
| 3COH Crystal structure of Aurora-A in complex with a pentacyclic inhibitor Deposited 2008-03-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
124–391（268 aa）
Fragment：kinase domain (UNP residues 124-391)
|
Mutation：K124A, Q154N, A203S, R251K, T287A, T288A, E336D | 83H 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M HEPES, pH 7.5, EVAPORATION, temperature 291K
|
Resolution 2.70 Å R-free 0.280 |
| 3E5A Crystal structure of Aurora A in complex with VX-680 and TPX2 Deposited 2008-08-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
125–391（267 aa）
Fragment：Residues 122-403
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；16% PEG 3350 and 0.2 M Lithium sulfate buffered with 100 mM Bis-Tris, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
|
Resolution 2.30 Å R-free 0.256 |
| 3EFW Structure of AuroraA with pyridyl-pyrimidine urea inhibitor Deposited 2008-09-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Not recorded | AK8 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4.6；273 K；0.1 M Sodium Acetate, 0.4 M Ammonium Sulfate, 15% PEG 4000, pH 4.6, VAPOR DIFFUSION, temperature 273K
|
Resolution 2.29 Å R-free 0.295 |
| 3EFW Structure of AuroraA with pyridyl-pyrimidine urea inhibitor Deposited 2008-09-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
125–391（267 aa）
|
Not recorded | AK8 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4.6；273 K；0.1 M Sodium Acetate, 0.4 M Ammonium Sulfate, 15% PEG 4000, pH 4.6, VAPOR DIFFUSION, temperature 273K
|
Resolution 2.29 Å R-free 0.295 |
| 3FDN Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity Deposited 2008-11-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：catalytic domain
|
Mutation：T288D | MMH N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；22% PEG400, 0.1mM ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.90 Å R-free 0.287 |
| 3H0Y Aurora A in complex with a bisanilinopyrimidine Deposited 2009-04-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 48B 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide × 2 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.50 Å R-free 0.285 |
| 3H0Y Aurora A in complex with a bisanilinopyrimidine Deposited 2009-04-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 48B 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.50 Å R-free 0.285 |
| 3H0Z Aurora A in complex with a bisanilinopyrimidine Deposited 2009-04-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 45B 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.92 Å R-free 0.286 |
| 3H0Z Aurora A in complex with a bisanilinopyrimidine Deposited 2009-04-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 45B 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.92 Å R-free 0.286 |
| 3H0Z Aurora A in complex with a bisanilinopyrimidine Deposited 2009-04-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 45B 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.92 Å R-free 0.286 |
| 3H10 Aurora A inhibitor complex Deposited 2009-04-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 97B 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.20 Å R-free 0.240 |
| 3H10 Aurora A inhibitor complex Deposited 2009-04-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 97B 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.20 Å R-free 0.240 |
| 3H10 Aurora A inhibitor complex Deposited 2009-04-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
124–391（268 aa）
Fragment：Kinase domain (UNP residues 124-391)
|
Mutation：K124A, T287A, T288A | 97B 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% PEG 3350, 0.2 M Ammonium sulfate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.20 Å R-free 0.240 |
| 3HA6 Crystal structure of aurora A in complex with TPX2 and compound 10 Deposited 2009-05-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
125–391（267 aa）
Fragment：UNP residues 125-391
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 2JZ N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.36 Å R-free 0.252 |
| 3HA6 Crystal structure of aurora A in complex with TPX2 and compound 10 Deposited 2009-05-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
125–391（267 aa）
Fragment：UNP residues 125-391
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 2JZ N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.36 Å R-free 0.252 |
| 3K5U Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor Deposited 2009-10-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：catalytic domain
|
Mutation：T288D | PFQ 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；22% PEG400, 0.1mM ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.35 Å R-free 0.260 |
| 3LAU Crystal Structure of Aurora2 kinase in complex with a GSK3beta inhibitor Deposited 2010-01-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–399（275 aa）
Fragment：UNP residues 125-399
|
Mutation：T288D | OFI N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG4000 26% - Tris 100mM pH 8.5 - DTT 5mM - MgCl2 1mM - NaAcetate 200mM, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.10 Å R-free 0.248 |
| 3M11 Crystal Structure of Aurora A Kinase complexed with inhibitor Deposited 2010-03-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：catalytic domain
|
Mutation：T288D | AKI 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；22% PEG400, 0.1mM ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.75 Å R-free 0.299 |
| 3MYG Aurora A Kinase complexed with SCH 1473759 Deposited 2010-05-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
Fragment：UNP Residues 126-391
|
Not recorded | PG4 TETRAETHYLENE GLYCOL × 1 EML 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；291 K；0.1M Tris, 0.2M LiSO4, 33% PEG 400, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.40 Å R-free 0.245 |
| 3NRM Imidazo[1,2-a]pyrazine-based Aurora Kinase Inhibitors Deposited 2010-06-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–403（278 aa）
Fragment：UNP residues 126-403
|
Mutation：T287A, T288A | NRM N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1 M MES, 0.2 M MGSO4, 18-26% MME-PEG-5000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 3.05 Å R-free 0.258 |
| 3P9J Aurora A kinase domain with phthalazinone pyrazole inhibitor Deposited 2010-10-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
Fragment：unp residues 124-391
|
Mutation：K124A, T287A, T288A | P9J 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；PEG3350, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.80 Å R-free 0.271 |
| 3QBN Structure of Human Aurora A in Complex with a diaminopyrimidine Deposited 2011-01-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
124–403（280 aa）
Fragment：unp residues 124-403
|
Mutation：V279C, C290S, C393S | E9Z 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；100 mM Na-citrate, 15-20% PEG8000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.50 Å R-free 0.334 |
| 3R21 Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) Deposited 2011-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–391（266 aa）
Fragment：unp residues 126-391
|
Mutation：T287D, T288D | D36 N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；10% Peg550 MME, 100mM Tris, 10% ethylene glycol, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.90 Å R-free 0.305 |
| 3R22 Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) Deposited 2011-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–391（266 aa）
Fragment：unp residues 126-391
|
Mutation：T287D, T288D | D37 N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；10% Peg550 MME, 0.1M Tris pH 9, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.90 Å R-free 0.313 |
| 3UNZ Aurora A in Complex with RPM1679 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain UNP Residues 123-401
|
Mutation：T287D | 0BZ 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1679, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.278 |
| 3UNZ Aurora A in Complex with RPM1679 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
Fragment：Kinase domain UNP Residues 123-401
|
Mutation：T287D | 0BZ 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1679, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.278 |
| 3UNZ Aurora A in Complex with RPM1679 Deposited 2011-11-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain UNP Residues 123-401
Chain B
123–401（279 aa）
Fragment：Kinase domain UNP Residues 123-401
|
Mutation：T287D Mutation：T287D | 0BZ 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1679, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.278 |
| 3UO4 Aurora A in complex with RPM1680 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C0 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1680, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.45 Å R-free 0.257 |
| 3UO5 Aurora A in complex with YL1-038-31 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：RESIDUES 123-401
|
Mutation：T287D | 0BX 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM YL1-038-31, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.70 Å R-free 0.273 |
| 3UO6 Aurora A in complex with YL5-083 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
|
Mutation：T287D | 0BY 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM YL5-083, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.276 |
| 3UO6 Aurora A in complex with YL5-083 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
|
Mutation：T287D | 0BY 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM YL5-083, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.276 |
| 3UO6 Aurora A in complex with YL5-083 Deposited 2011-11-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
Chain B
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
|
Mutation：T287D Mutation：T287D | 0BY 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM YL5-083, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.276 |
| 3UOD Aurora A in complex with RPM1693 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C3 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1693, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.50 Å R-free 0.262 |
| 3UOH Aurora A in complex with RPM1722 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
|
Mutation：T287D | 0C4 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1722, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.288 |
| 3UOH Aurora A in complex with RPM1722 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
|
Mutation：T287D | 0C4 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1722, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.288 |
| 3UOH Aurora A in complex with RPM1722 Deposited 2011-11-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
Chain B
123–401（279 aa）
Fragment：Kinase domain RESIDUES 123-401
|
Mutation：T287D Mutation：T287D | 0C4 4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 2 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1722, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.80 Å R-free 0.288 |
| 3UOJ Aurora A in complex with RPM1715 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C5 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1715, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.274 |
| 3UOJ Aurora A in complex with RPM1715 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C5 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1715, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.274 |
| 3UOJ Aurora A in complex with RPM1715 Deposited 2011-11-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
Chain B
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D Mutation：T287D | 0C5 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1715, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.274 |
| 3UOK Aurora A in complex with YL5-81-1 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C6 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM YL5-81-1, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.95 Å R-free 0.276 |
| 3UOK Aurora A in complex with YL5-81-1 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C6 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM YL5-81-1, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.95 Å R-free 0.276 |
| 3UOK Aurora A in complex with YL5-81-1 Deposited 2011-11-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
Chain B
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D Mutation：T287D | 0C6 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM YL5-81-1, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.95 Å R-free 0.276 |
| 3UOL Aurora A in complex with SO2-162 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C7 N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM SO2-162, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.40 Å R-free 0.283 |
| 3UOL Aurora A in complex with SO2-162 Deposited 2011-11-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C7 N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine × 1 EDO 1,2-ETHANEDIOL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM SO2-162, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.40 Å R-free 0.283 |
| 3UOL Aurora A in complex with SO2-162 Deposited 2011-11-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
Chain B
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D Mutation：T287D | 0C7 N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine × 2 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM SO2-162, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.40 Å R-free 0.283 |
| 3UP2 Aurora A in complex with RPM1686 Deposited 2011-11-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Kinase domain, RESIDUES 123-401
|
Mutation：T287D | 0C8 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；10 mg/mL AURORA A protein, 1 mM RPM1686, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.249 |
| 3UP7 Aurora A in complex with YL1-038-09 Deposited 2011-11-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：RESIDUES 123-401
|
Mutation：T287D | 0C9 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；10 mg/mL AURORA A protein, 1 mM YL1-038-09, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 3.05 Å R-free 0.292 |
| 3VAP Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity Deposited 2011-12-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
Fragment：UNP Residues 125-391
|
Not recorded | 0FY 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；291 K；0.1M TRIS, 0.2M LISO4, 33% PEG 400, 0.001M COMPOUND, 1% DMSO, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.66 Å R-free 0.246 |
| 3W10 Aurora kinase A complexed to pyrazole aminoquinoline I Deposited 2012-11-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–403（278 aa）
Fragment：Domain, UNP RESIDUES 126-403
|
Mutation：T287A, T288A | RO9 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.70 Å R-free 0.309 |
| 3W16 Structure of Aurora kinase A complexed to pyrazole-aminoquinoline inhibitor III Deposited 2012-11-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–403（278 aa）
Fragment：Domain, UNP RESIDUES 126-403
|
Not recorded | P9J 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.322 |
| 3W18 Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII Deposited 2012-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–403（278 aa）
Fragment：Domain, UNP RESIDUES 126-403
|
Not recorded | N13 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.315 |
| 3W18 Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII Deposited 2012-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
126–403（278 aa）
Fragment：Domain, UNP RESIDUES 126-403
|
Not recorded | N13 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.315 |
| 3W2C Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV Deposited 2012-11-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
128–388（261 aa）
Fragment：UNP RESIDUES 128-388
|
Not recorded | N15 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.45 Å R-free 0.320 |
| 3W2C Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV Deposited 2012-11-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
128–388（261 aa）
Fragment：UNP RESIDUES 128-388
|
Not recorded | N15 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.45 Å R-free 0.320 |
| 3W2C Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV Deposited 2012-11-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
128–388（261 aa）
Fragment：UNP RESIDUES 128-388
|
Not recorded | N15 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.45 Å R-free 0.320 |
| 3W2C Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV Deposited 2012-11-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
128–388（261 aa）
Fragment：UNP RESIDUES 128-388
|
Not recorded | N15 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.45 Å R-free 0.320 |
| 4B0G Complex of Aurora-A bound to an Imidazopyridine-based inhibitor Deposited 2012-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Not recorded | VEK 6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.50 Å R-free 0.263 |
| 4BN1 Crystal structure of V174M mutant of Aurora-A kinase Deposited 2013-05-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：RESIDUES 122-403
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1 M HEPES PH 7.5, 10 % PEG 6000, 5 % MPD AND 0.1 M CALCIUM CHLORIDE DIHYDRATE
|
Resolution 2.50 Å R-free 0.244 |
| 4BYI Aurora A kinase bound to a highly selective imidazopyridine inhibitor Deposited 2013-07-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：RESIDUES 122-403
|
Not recorded | FH3 (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å R-free 0.253 |
| 4BYJ Aurora A kinase bound to a highly selective imidazopyridine inhibitor Deposited 2013-07-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：RESIDUES 122-403
|
Not recorded | FH5 (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.75 Å R-free 0.248 |
| 4C3P Structure of dephosphorylated Aurora A (122-403) bound to TPX2 and AMPPCP Deposited 2013-08-26 | 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
122–403（282 aa）
Fragment：KINASE DOMAIN, RESIDUES 121-403
Chain D
122–403（282 aa）
Fragment：KINASE DOMAIN, RESIDUES 121-403
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；CRYSTALS OF DEPHOSPHORYLATED A(122-403) IN COMPLEX WITH AMPPCP AND TPX2(1-43) WERE GROWN AT 18C BY VAPOR DIFFUSION AND THE HANGING DROP OBTAINED BY COMBINING 300UM DEP A(122-403) WITH 1.5MM AMPPCP AND 300UM TPX2(1-43) WITH 0.2M LITHIUM SULFATE MONOHYDRATE, 0.1M BISTRIS PH5.5, 25% PEG3350.
|
Resolution 2.69 Å R-free 0.289 |
| 4C3R Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP Deposited 2013-08-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：KINASE DOMAIN, RESIDUES 122-403
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；CRYSTALS OF DEPHOSPHORYLATED A(122-403) IN COMPLEX WITH AMPPCP WERE OBTAINED BY MIXING A 2:1 RATIO OF 570UM (18MG/ML) DEP A(122-403) AND 1MM AMPPCP WITH MOTHER LIQUOR (0.2M AMMONIUM SULFATE, 0.2M TRISHCL PH 7.50, 30% (W/V) PEG3350). THE CRYSTALS WERE GROWN AT 18C BY VAPOR DIFFUSION AND THE HANGING DROP METHOD.
|
Resolution 2.79 Å R-free 0.306 |
| 4CEG Crystal structure of Aurora A 122-403 C290A, C393A bound to ADP Deposited 2013-11-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 122-403
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.5；PROTEIN WAS CRYSTALLISED IN 0.1 M TRIS-HCL PH 8.5, 0.2 M MGCL2, 0.5 M NACL, 32.5 % PEG 3350 AFTER INCUBATION WITH 5 MM ADP/MGCL2 BY VAPOUR DIFFUSION
|
Resolution 2.10 Å R-free 0.237 |
| 4DEA Aurora A in complex with YL1-038-18 Deposited 2012-01-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
|
Mutation：T287D | EDO 1,2-ETHANEDIOL × 3 NHI 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；10 mg/mL AURORA A protein, 1 mM YL1-038-18, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.45 Å R-free 0.262 |
| 4DEB Aurora A in complex with RK2-17-01 Deposited 2012-01-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
|
Mutation：T287D | NHJ 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；10 mg/mL AURORA A protein, 1 mM RK2-17-01, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 3.05 Å R-free 0.283 |
| 4DED Aurora A in complex with YL1-038-21 Deposited 2012-01-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
|
Mutation：T287D | NHU 2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；10 mg/mL AURORA A protein, 1 mM YL1-038-21, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 3.05 Å R-free 0.282 |
| 4DEE Aurora A in complex with ADP Deposited 2012-01-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
|
Mutation：T287D | MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；10 mg/mL AURORA A protein, 1 mM ADP, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 100 mM sodium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.259 |
| 4DHF Structure of Aurora A mutant bound to Biogenidec cpd 15 Deposited 2012-01-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–391（266 aa）
Fragment：unp residues 126-391
|
Mutation：T287D, T288D | 0K6 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide × 1 PO4 PHOSPHATE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；1mM ADP, 2mM MgCl2 addition and set up with 10% PEG550MME, 5% Ethylene glycol, 0.1M TRIS, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.299 |
| 4DHF Structure of Aurora A mutant bound to Biogenidec cpd 15 Deposited 2012-01-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
126–391（266 aa）
Fragment：unp residues 126-391
|
Mutation：T287D, T288D | 0K6 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide × 1 PO4 PHOSPHATE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；1mM ADP, 2mM MgCl2 addition and set up with 10% PEG550MME, 5% Ethylene glycol, 0.1M TRIS, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.299 |
| 4J8M Aurora A in complex with CD532 Deposited 2013-02-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CJ5 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea × 1 MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；20 mg/ml Aurora A protein, 1 mM CD532, 20% (w/v) PEG8000, 0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.218 |
| 4J8N Aurora A Kinase Apo Deposited 2013-02-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
123–401（279 aa）
Chain B
123–401（279 aa）
Chain C
123–401（279 aa）
Chain D
123–401（279 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Hanging drop vapor diffusion；pH 7；298 K；20 mg/ml Aurora A protein, 10% Tacsimate, 20% (w/v) PEG3350, pH 7.0, Hanging drop vapor diffusion, temperature 298K
|
Resolution 3.13 Å R-free 0.234 |
| 4J8N Aurora A Kinase Apo Deposited 2013-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Hanging drop vapor diffusion；pH 7；298 K；20 mg/ml Aurora A protein, 10% Tacsimate, 20% (w/v) PEG3350, pH 7.0, Hanging drop vapor diffusion, temperature 298K
|
Resolution 3.13 Å R-free 0.234 |
| 4J8N Aurora A Kinase Apo Deposited 2013-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
123–401（279 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Hanging drop vapor diffusion；pH 7；298 K；20 mg/ml Aurora A protein, 10% Tacsimate, 20% (w/v) PEG3350, pH 7.0, Hanging drop vapor diffusion, temperature 298K
|
Resolution 3.13 Å R-free 0.234 |
| 4J8N Aurora A Kinase Apo Deposited 2013-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
123–401（279 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Hanging drop vapor diffusion；pH 7；298 K；20 mg/ml Aurora A protein, 10% Tacsimate, 20% (w/v) PEG3350, pH 7.0, Hanging drop vapor diffusion, temperature 298K
|
Resolution 3.13 Å R-free 0.234 |
| 4J8N Aurora A Kinase Apo Deposited 2013-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
123–401（279 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
Hanging drop vapor diffusion；pH 7；298 K；20 mg/ml Aurora A protein, 10% Tacsimate, 20% (w/v) PEG3350, pH 7.0, Hanging drop vapor diffusion, temperature 298K
|
Resolution 3.13 Å R-free 0.234 |
| 4JAI Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide Deposited 2013-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–396（275 aa）
Fragment：Aurora2 Kinase (UNP RESIDUES 122-396)
|
Not recorded | XU2 N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；20% PEG MME 550, 0.1 M Bicine, 0.1 M NaCl , pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.20 Å R-free 0.318 |
| 4JAJ Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE Deposited 2013-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–396（275 aa）
Fragment：Aurora2 Kinase (UNP RESIDUES 122-396)
|
Not recorded | XU1 benzo[c][1,8]naphthyridin-6(5H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；20% PEG MME 550, 0.1 M Bicine pH 9.0, 0.1 M NaCl , VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.323 |
| 4JBO Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules Deposited 2013-02-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：CATALYTIC DOMAIN, UNP RESIDUES 123-401
|
Mutation：T288D | WPH 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；22% PEG 400, 0.1M ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.49 Å R-free 0.236 |
| 4JBP Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules Deposited 2013-02-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Catalytic domain, UNP RESIDUES 123-401
|
Mutation：T288D | YPH 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；22% PEG 400, 0.1M ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.45 Å R-free 0.291 |
| 4JBQ Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules Deposited 2013-02-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–401（279 aa）
Fragment：Catalytic domain, UNP RESIDUES 123-401
|
Mutation：T288D | VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；22% PEG 400, 0.1M ammonia sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.282 |
| 4O0S Crystal structures of human kinase Aurora A Deposited 2013-12-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：Aurora A kinase domain, UNP residues 122-403
|
Not recorded | ADN ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.2M Ammonium sulfate, 0.1M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.250 |
| 4O0U Crystal structures of human kinase Aurora A Deposited 2013-12-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：Aurora A Kinase Domain, UNP residues 122-403
|
Mutation：H254R | ADN ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.2M Ammonium sulfate, 0.1M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.273 |
| 4O0W Crystal structures of human kinase Aurora A Deposited 2013-12-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：Aurora A Kinase Domain, UNP residues 122-403
|
Mutation：H254Y | ADN ADENOSINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.2M Ammonium sulfate, 0.1M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.277 |
| 4PRJ Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide) Deposited 2014-03-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
124–391（268 aa）
Fragment：kinase domain (UNP residues 124-391)
|
Mutation：K124A/Q154N/A203S/R251K/T287A/T288A/E336D | 2VU N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；30% w/v PEG1500, 0.2 M lithium sulfate, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.275 |
| 4UYN SAR156497 an exquisitely selective inhibitor of Aurora kinases Deposited 2014-09-02 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–399（275 aa）
Fragment：KINASE DOMAIN, RESIDUES 125-399
|
Not recorded | Y3M ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；PEG3350 21% TRIS 50MM PH 8
|
Resolution 1.90 Å R-free 0.234 |
| 4UZH SAR156497 an exquisitely selective inhibitor of Aurora kinases Deposited 2014-09-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–399（275 aa）
Fragment：KINASE DOMAIN, RESIDUES 125-399
|
Not recorded | JVE (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；28% PEG 400, 200 MM NAACETATE, 5MM DTT, 100 MM TRIS PH 8
|
Resolution 2.00 Å R-free 0.235 |
| 4ZS0 Human Aurora A catalytic domain bound to SB-6-OH Deposited 2015-05-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：Catalytic domain, UNP residues 122-403
|
Not recorded | 4QV 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；4% v/v Tacsimate pH 8.0, 12% w/v PEG 3350
|
Resolution 3.00 Å R-free 0.251 |
| 4ZTQ Human Aurora A catalytic domain bound to FK932 Deposited 2015-05-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：residues 122-403
|
Not recorded | 4RM (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；0.3 M Ammonium citrate dibasic,
25% PEG 3350
|
Resolution 2.80 Å R-free 0.246 |
| 4ZTR Human Aurora A catalytic domain bound to FK1141 Deposited 2015-05-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：residues 122-403
|
Not recorded | 4RJ 6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；0.1 M Tris pH 8.0,
28% PEG 4k
|
Resolution 2.85 Å R-free 0.268 |
| 4ZTS Human Aurora A catalytic domain bound to FK1142 Deposited 2015-05-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：residues 122-403
|
Not recorded | 4RK (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1H-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；5% MPD, 0.1 M Hepes pH 7.5, 10% PEG 10K
|
Resolution 2.90 Å R-free 0.249 |
| 5AAD Aurora A kinase bound to an imidazopyridine inhibitor (7a) Deposited 2015-07-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 122-403
|
Mutation：YES | 5GX 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.10 Å R-free 0.283 |
| 5AAE Aurora A kinase bound to an imidazopyridine inhibitor (14d) Deposited 2015-07-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 112-403
|
Mutation：YES | 7HD 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.9；0.1 M TRIS PH 8.9 0.2 M LITHIUM SULFATE 30 % PEG 4000
|
Resolution 3.11 Å R-free 0.291 |
| 5AAF Aurora A kinase bound to an imidazopyridine inhibitor (14a) Deposited 2015-07-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：KINASE DOMAIN, RESIDUES 122-403
|
Mutation：YES | NL4 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.9；0.1 M TRIS PH 8.9, 0.2 M LITHIUM SULFATE, 30 % PEG 4000
|
Resolution 2.78 Å R-free 0.287 |
| 5AAG Aurora A kinase bound to an imidazopyridine inhibitor (14b) Deposited 2015-07-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
Fragment：KINASE DOMAIN, RESIDUES 122-403
|
Mutation：YES | 6F2 [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.9；0.1 M TRIS PH 8.9 0.2 M LITHIUM SULFATE 30 % PEG 4000
|
Resolution 2.85 Å R-free 0.260 |
| 5DN3 Aurora A in complex with ATP and AA35. Deposited 2015-09-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 5DN 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid × 1 SO4 SULFATE ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；50 mM HEPES, 200 mM magnesium sulfate, 20% PEG 3350
|
Resolution 2.05 Å R-free 0.203 |
| 5DNR Aurora A Kinase in complex with ATP in space group P41212 Deposited 2015-09-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；100 mM HEPES, 200 mM magnesium sulfate, 2-20% PEG 3350
|
Resolution 1.95 Å R-free 0.226 |
| 5DOS Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 Deposited 2015-09-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Mutation：T287A | MG MAGNESIUM ION × 1 5DN 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM Hepes pH7.4, 200 mM magnesium sulfate, 2-20% PEG 3350
|
Resolution 2.98 Å R-free 0.273 |
| 5DPV Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 Deposited 2015-09-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Mutation：T287A | 5DN 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid × 1 SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG3350
|
Resolution 2.29 Å R-free 0.280 |
| 5DR2 Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122 Deposited 2015-09-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
128–390（263 aa）
Fragment：UNP residues 128-390
|
Mutation：T287A | 5E1 2-(3-bromophenyl)quinoline-4-carboxylic acid × 1 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulphate, 2-20 PEG3350
|
Resolution 2.46 Å R-free 0.285 |
| 5DR6 Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122 Deposited 2015-09-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Not recorded | 5E1 2-(3-bromophenyl)quinoline-4-carboxylic acid × 1 SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG3350
|
Resolution 2.53 Å R-free 0.278 |
| 5DR9 Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 Deposited 2015-09-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Not recorded | SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 5E2 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG3350
|
Resolution 2.47 Å R-free 0.262 |
| 5DRD Aurora A Kinase in Complex with ATP in Space Group P6122 Deposited 2015-09-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Not recorded | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG3350
|
Resolution 2.13 Å R-free 0.262 |
| 5DT0 Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 Deposited 2015-09-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Not recorded | SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG3350
|
Resolution 2.15 Å R-free 0.225 |
| 5DT3 Aurora A Kinase in Complex with ATP in Space Group P6122 Deposited 2015-09-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20 % PEG3350
|
Resolution 2.33 Å R-free 0.243 |
| 5DT4 Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 Deposited 2015-09-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：UNP residues 126-390
|
Not recorded | MG MAGNESIUM ION × 1 5DN 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；100 mM HEPES pH 7.4, 200 mM magnesium sulfate, 2-20% PEG 3350
|
Resolution 2.86 Å R-free 0.256 |
| 5EW9 Crystal Structure of Aurora A Kinase Domain Bound to MK-5108 Deposited 2015-11-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–390（268 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 5VC 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；30% PEG3350, 100 mM Bis-Tris
|
Resolution 2.18 Å R-free 0.237 |
| 5G15 Structure Aurora A (122-403) bound to activating monobody Mb1 and AMPPCP Deposited 2016-03-23 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 122-403
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；AURORA A AND MONOBODIES WERE ALIQUOTED IN STORAGE BUFFER (20MM TRISHCL, 200MM NACL, 10% (V/V) GLYCEROL, 20MM MGCL2, 5MM TCEP, PH 7.50) AND KEPT AT -80C. AMPPCP WAS PREPARED FRESH FROM POWDER THE DAY OF CRYSTALLIZATION IN CONCENTRATIONS OF 100-120MM IN STORAGE BUFFER. CRYSTALS OF AURA IN COMPLEX WITH AMPPCP AND ACTIVATING MONOBODY, MB1, WERE OBTAINED BY COMBINING 0.5UL OF [300UM AURA WITH 5MM AMPPCP AND 300UM MB1] WITH 0.5UL OF MOTHER LIQUOR (0.1M MES SODIUM SALT PH 6.50, 0.2M AMMONIUM SULFATE, 4% (V/V) 1,3-PROPANEDIOL, 30% (W/V) PEG8000). CRYSTALS WERE GROWN AT 18C BY VAPOR DIFFUSION AND THE SITTING DROP METHOD. THE CRYSTALS WERE WASHED WITH MOTHER LIQUOR AND FLASH FROZEN IN LIQUID NITROGEN IN PREPARATION FOR DATA COLLECTION.
|
Resolution 2.06 Å R-free 0.274 |
| 5G1X Crystal structure of Aurora-A kinase in complex with N-Myc Deposited 2016-03-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 122-403
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 9；100 MM BICINE PH 9.0, 20% PEG 6000
|
Resolution 1.72 Å R-free 0.195 |
| 5L8J Aurora-A kinase domain in complex with vNAR-D01 S93R Deposited 2016-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393A Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；295 K；0.1 M citric acid pH 5.0, 20% PEG 6000
|
Resolution 1.68 Å R-free 0.231 |
| 5L8K Aurora-A kinase domain in complex with vNAR-D01 (crystal form 2) Deposited 2016-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393A Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.2 M ammonium sulfate, 0.1 M bis-Tris pH 5.5, 25 % PEG 3350
|
Resolution 1.79 Å R-free 0.235 |
| 5L8L Aurora-A kinase domain in complex with vNAR-D01 (crystal form 1) Deposited 2016-06-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393A Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；295 K；0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 12.5 % PEG 4000
|
Resolution 1.67 Å R-free 0.223 |
| 5LXM Crystal structure of Aurora-A bound to a hydrocarbon-stapled proteomimetic of TPX2 Deposited 2016-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393A Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 PG4 TETRAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 CL CHLORIDE ION × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；MORPHEUS Crystallization Screen condition C1
|
Resolution 2.08 Å R-free 0.243 |
| 5OBJ Aurora A kinase in complex with 2-(3-fluorophenyl)quinoline-4-carboxylic acid and ATP Deposited 2017-06-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Not recorded | MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 9QK 2-(3-fluorophenyl)quinoline-4-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；50 MM HEPES, 200 MM MAGNESIUM SULFATE, 20% PEG 3350
|
Resolution 2.90 Å R-free 0.245 |
| 5OBR Aurora A kinase in complex with 2-(3-chloro-5-fluorophenyl)quinoline-4-carboxylic acid and JNJ-7706621 Deposited 2017-06-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Not recorded | 9QT 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid × 1 SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；50 MM HEPES, 200 MM MAGNESIUM SULFATE, 20% PEG 3350
|
Resolution 2.62 Å R-free 0.292 |
| 5ODT Aurora-A in complex with TACC3 Deposited 2017-07-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
Fragment：UNP residues 122-403
|
Mutation：D274N, C290A, C393A | ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；292 K；0.1 M Bis-Tris pH 5.5, 2 M Ammonium sulphate
|
Resolution 2.02 Å R-free 0.211 |
| 5ONE Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2) Deposited 2017-08-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Not recorded | 9YQ 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；18% PEG 3350, 0.2 M Ammonium citrate, 0.1 M bis-tris, pH 7.5
|
Resolution 2.60 Å R-free 0.260 |
| 5ORL Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Mutation：C290A, C393A Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 3 A4W ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5; 0.5 M NaCl; 0.2 M MgCl2; 32.5 % v/v PEG 3350
|
Resolution 1.69 Å R-free 0.238 |
| 5ORN Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A5E 3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.19 Å R-free 0.262 |
| 5ORO Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A5H 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.12 Å R-free 0.281 |
| 5ORP Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A5K 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.19 Å R-free 0.273 |
| 5ORR Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A5Q 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5; 0.5 M NaCl; 0.2 M MgCl2; 32.5 % v/v PEG 3350
|
Resolution 2.09 Å R-free 0.256 |
| 5ORS Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A5W cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.98 Å R-free 0.257 |
| 5ORT Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 A5Z [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.56 Å R-free 0.275 |
| 5ORV Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 A65 [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.88 Å R-free 0.268 |
| 5ORW Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A6E 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.00 Å R-free 0.270 |
| 5ORX Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A6H 6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.88 Å R-free 0.270 |
| 5ORY Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 3 AY4 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.99 Å R-free 0.265 |
| 5ORZ Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 3 A6W methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.92 Å R-free 0.244 |
| 5OS0 Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A6Z 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.74 Å R-free 0.264 |
| 5OS1 Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 3 A7H 6-ethoxy-2-methyl-1,3-benzothiazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.90 Å R-free 0.250 |
| 5OS2 Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A7K [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.92 Å R-free 0.251 |
| 5OS3 Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A7N (1~{R})-1-(4-ethoxyphenyl)ethanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.81 Å R-free 0.238 |
| 5OS4 Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A8H (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.88 Å R-free 0.240 |
| 5OS5 Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–392（268 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A8K 4-(4-hydroxyphenyl)sulfanylphenol × 1 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.74 Å R-free 0.236 |
| 5OS6 Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A7Q (6-phenoxypyridin-3-yl)methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.20 Å R-free 0.277 |
| 5OSD Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A9B 5-(4-chlorophenyl)furan-2-carbohydrazide × 1 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.99 Å R-free 0.239 |
| 5OSE Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A98 methyl ~{N}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.90 Å R-free 0.237 |
| 5OSF Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment Deposited 2017-08-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A9E 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.89 Å R-free 0.254 |
| 5ZAN Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor Deposited 2018-02-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
123–403（281 aa）
Fragment：Catalytic domain, UNP residues 123-403
|
Not recorded | 9A6 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；293 K；0.22M Sodium citrate tribasic dihydrate pH 6.0, 10%(v/v) 2-Propanol, 22(w/v) Polyethylene glycol 4,000
|
Resolution 2.85 Å R-free 0.281 |
| 6C2R Aurora A ligand complex Deposited 2018-01-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
125–391（267 aa）
Fragment：residues 125-391
|
Not recorded | SO4 SULFATE ION × 6 EG7 (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；294 K；100mM MES pH 4.6, 23% PEG 3350, 150mM Ammonium Sulfate
|
Resolution 1.96 Å R-free 0.228 |
| 6C2T Aurora A ligand complex Deposited 2018-01-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
125–391（267 aa）
Fragment：residues 125-391
|
Not recorded | EGJ (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid × 2 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.8；294 K；100mM MES pH 4.8, 25% PEG 3350, 150mM Ammonium Sulfate
|
Resolution 1.73 Å R-free 0.220 |
| 6C83 Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP Deposited 2018-01-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
122–403（282 aa）
Chain B
122–403（282 aa）
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291.15 K；Crystals of dephosphorylated Aurora A (122-403) in complex with Monobody Mb2 and AMPPCP were obtained by mixing a 1:1 ratio of 0.24mM Aurora A, 0.25mM Mb2 and 2.5mM AMPPCP in 20mM TrisHCl pH 7.5, 200mM NaCl,20mM MgCl2, 10% glycerol, 5mM TCEP with mother liquor (0.1M Bis-Tris pH 5.5, 0.2M NaCl, 25% (w/v) PEG 3350
|
Resolution 2.55 Å R-free 0.322 |
| 6CPE Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation Deposited 2018-03-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Not recorded | P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；291.15 K；A 1:1 ratio protein:mother liquor was obtained by mixing 0.5 uL Aurora A (300 uM; 10 mg/mL) in 50 mM HEPES, pH 7.3, 500 mM ammonium acetate, 1 mM MgCl2, 5 mM TCEP) with 0.5 uL of 0.15 M Tris-HCl, pH 7.5, 0.15 M ammonium sulfate, 35% (w/v) PEG-3350
|
Resolution 2.45 Å R-free 0.254 |
| 6CPF Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation Deposited 2018-03-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291.15 K；Crystals were obtained by mixing 570 uM Aurora A (18 mg/mL) in buffer (20 mM Tris-HCl, pH 7.5, 200 mM NaCl, 20 mM MgCl2, 1 mM TCEP) in a 2:1 ratio with mother liquor (0.2 M Tris-HCl, pH 7.5, 0.2 M ammonium sulfate, 30% (w/v) PEG-3350).
|
Resolution 2.30 Å R-free 0.259 |
| 6CPG Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation Deposited 2018-03-13 | 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
122–403（282 aa）
Chain D
122–403（282 aa）
|
Not recorded | 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；291.15 K；A 1:1 ratio of protein mixture to mother liquor was obtained by combining 0.5 uL of sample [240 uM deP Aurora A + 1.0 mM AT9283 + 250 uM Mb] with 0.5 uL of mother liquor [0.1 M Bis-Tris, pH 5.5, 0.2 M magnesium chloride, 19% (w/v) PEG-3350].
|
Resolution 2.80 Å R-free 0.335 |
| 6GRA Human AURKA bound to BRD-7880 Deposited 2018-06-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Not recorded | F8Z 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M potassium citrate, 0.1 M Bis-Tris propane pH 7.5, 20% PEG 3350, 10% ethylene glycol
|
Resolution 2.60 Å R-free 0.269 |
| 6HJJ Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand Deposited 2018-09-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Mutation：L210C, C290A, C393A | G7T ~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide × 1 CL CHLORIDE ION × 3 ACT ACETATE ION × 3 PGF 2,5,8,11-TETRAOXATRIDECANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M lithium sulfate,
0.1 M sodium acetate pH 4.5, 50 % w/v polyethylene glycol 400;
|
Resolution 2.13 Å R-free 0.269 |
| 6HJK Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2 Deposited 2018-09-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Mutation：L210C, C290A, C393A | G7W (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M ammonium sulfate, 0.1 M tri-sodium citrate pH 5.6, 25 % w/v polyethylene glycol 4000
|
Resolution 2.40 Å R-free 0.252 |
| 6I2U Aurora-A kinase domain in complex with Coenzyme A Deposited 2018-11-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | COA COENZYME A × 1 MG MAGNESIUM ION × 4 PEG DI(HYDROXYETHYL)ETHER × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；0.03 M MgCl2.6H20, 0.03 M CaCl2.2H20, 0.1 M MOPS/HEPES-Na pH 7.5, 20% (v/v) PEG 500 MME, 10% (w/v) PEG 20 000
|
Resolution 2.50 Å R-free 0.252 |
| 6R49 Aurora-A in complex with shape-diverse fragment 39 Deposited 2019-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393A Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 JSB (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.21 Å R-free 0.240 |
| 6R4A Aurora-A in complex with shape-diverse fragment 55 Deposited 2019-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 4 JRT 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 1.94 Å R-free 0.234 |
| 6R4B Aurora-A in complex with shape-diverse fragment 56 Deposited 2019-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 4 JSN (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.15 Å R-free 0.230 |
| 6R4C Aurora-A in complex with shape-diverse fragment 57 Deposited 2019-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 3 JRQ ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.04 Å R-free 0.226 |
| 6R4D Aurora-A in complex with shape-diverse fragment 58 Deposited 2019-03-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 JRW (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M Tris, pH 8.5: 0.5 M NaCl: 0.2 M MgCl2: 32.5 % v/v PEG 3350
|
Resolution 2.01 Å R-free 0.233 |
| 6VPG TPX2 residues 7-20 fused to Aurora A residues 116-389 in complex with AMP-PNP Deposited 2020-02-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
116–389（274 aa）
Fragment：kinase domain,kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7；298 K；0.1 M HEPES pH 7, 0.9 M KCl, 1.08 M ammonium sulfate, 12% glycerol
|
Resolution 2.64 Å R-free 0.245 |
| 6VPH TPX2 residues 7-20 fused to Aurora A residues 116-389 modified with cacodylate and in complex with AMP-PNP Deposited 2020-02-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
116–389（274 aa）
Fragment：kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 4 DTD DITHIANE DIOL × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 GOL GLYCEROL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 6；298 K；0.1 M sodium cacodylate pH 6, 2 M NaCl, 9% PEG 3350
|
Resolution 2.14 Å R-free 0.216 |
| 6VPI TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-PNP Deposited 2020-02-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
116–389（274 aa）
Fragment：kinase domain
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 4 MLA MALONIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7；298 K；0.336 M sodium malonate pH 7.5, 0.348 M sodium malonate pH 6.5
|
Resolution 2.00 Å R-free 0.215 |
| 6VPJ TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + C319V double mutant dephosphorylated, and in complex with AMP-PNP Deposited 2020-02-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
116–389（274 aa）
Fragment：kinase domain
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；298 K；0.2 M sodium citrate pH 4, 0.8 M sodium citrate pH 5.5, 6% PEG 3350, 8% trehalose
|
Resolution 2.10 Å R-free 0.215 |
| 6VPL TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 7-80, and in complex with AMP-PNP Deposited 2020-02-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
116–389（274 aa）
Fragment：kinase domain
Chain B
116–389（274 aa）
Fragment：kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MLA MALONIC ACID × 2 R7D N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 5.5；298 K；0.1 M sodium malonate pH 5.5, 12% PEG 3350, 17% glycerol
|
Resolution 1.86 Å R-free 0.201 |
| 6VPM TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP Deposited 2020-02-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
116–389（274 aa）
Fragment：kinase domain
Chain B
116–389（274 aa）
Fragment：kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 2 AMP ADENOSINE MONOPHOSPHATE × 2 R74 N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide × 2 MLA MALONIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 5.5；298 K；0.1 M sodium malonate pH 5.5, 7.5% PEG 3350, 11% glycerol
|
Resolution 1.58 Å R-free 0.203 |
| 6XKA TPX2 residues 7-20 fused to Aurora A residues 116-389 dephosphorylated, and CoAlated on C290 Deposited 2020-06-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
116–389（274 aa）
Fragment：kinase domain
|
Not recorded | COA COENZYME A × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；298 K；0.2 M sodium citrate pH 4, 0.1 M sodium citrate pH 5.5, 18 mM sodium malonate pH 6, 4 mM MgCl2
|
Resolution 2.65 Å R-free 0.279 |
| 6Z4Y Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 Deposited 2020-05-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Not recorded | CIT CITRIC ACID × 2 EDO 1,2-ETHANEDIOL × 5 Q7Q 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；15%(w/v) PEG 3350, 0.2M ammonium citrate
|
Resolution 2.25 Å R-free 0.257 |
| 7AYH Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2c) Deposited 2020-11-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Not recorded | S9H 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；24% PEG 3350, 0.2 M sodium malonate pH 7
|
Resolution 2.80 Å R-free 0.313 |
| 7AYI Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2a) Deposited 2020-11-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Not recorded | S9K 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；18% PEG 3350 and 5% Tacsimate pH 7
|
Resolution 2.86 Å R-free 0.297 |
| 7FIC Reversible lysine-targeted probes reveal residence time-based kinase selectivity in vivo Deposited 2021-07-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 aa）
|
Mutation：C290A | 5YZ 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide × 1 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.2 M lithium sulfate, 0.1 M BIS-TRIS pH 5.5, 25% w/v PEG 3350
|
Resolution 2.32 Å R-free 0.274 |
| 7O2V AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8 Deposited 2021-03-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
116–403（288 aa）
|
Not recorded | V0K 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.2 M HEPES pH 7.5, 0.2 M (NH4)2SO4, 20% PEG3350
|
Resolution 3.10 Å R-free 0.329 |
| 7ZTL Crystal structure of a covalently linked Aurora-A N-Myc complex Deposited 2022-05-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, K339C, C393A Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 GOL GLYCEROL × 3 BCN BICINE × 1 NA SODIUM ION × 1 JWG 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.1 M TRIS pH 8.5, 0.4 M MgCl2, 25% PEG 3350
|
Resolution 1.90 Å R-free 0.193 |
| 8C14 Aurora A kinase in complex with TPX2-inhibitor 9 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
Fragment：Aurora A kinase
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 3 SO4 SULFATE ION × 1 CL CHLORIDE ION × 6 DMS DIMETHYL SULFOXIDE × 4 ACT ACETATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 GOL GLYCEROL × 5 T0L 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；5% DMSO, 0.2M MgSO4, 0.05 M HEPES 7.4: soaking: 0.2M MgSO4, 0.05M HEPES 7.4, 30% glycerol, 10% DMSO, 5 mM compound
|
Resolution 1.93 Å R-free 0.194 |
| 8C15 Aurora A kinase in complex with TPX2-inhibitor 3 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–388（263 aa）
Fragment：Aurora A kinase
|
Mutation：C290A | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 T4C 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid × 1 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 SO4 SULFATE ION × 6 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；30% PEG5000 MME, 0.1M (NH4)2SO4, 0.1 M MES 6.5: soaking: 31.5% PEG5000 MME, 0.09M (NH4)2SO4, 0.09 M MES 6.5, 10% DMSO, 5 mM compound
|
Resolution 2.41 Å R-free 0.207 |
| 8C1D Aurora A kinase in complex with TPX2-inhibitor 9 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–388（263 aa）
Fragment：Aurora A kinase
|
Mutation：C290A | T2F 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 SO4 SULFATE ION × 6 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；30% PEG5000 MME, 0.1M (NH4)2SO4, 0.1 M MES 6.5: soaking: 31.5% PEG5000 MME, 0.09M (NH4)2SO4, 0.09 M MES 6.5, 10% DMSO, 5 mM compound
|
Resolution 2.12 Å R-free 0.238 |
| 8C1E Aurora A kinase in complex with TPX2-inhibitor 9 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
Fragment：Aurora A kinase
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T0X 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid × 1 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；5% DMSO, 0.2M MgSO4, 0.05 M HEPES 7.4: soaking: 0.2M MgSO4, 0.05M HEPES 7.4, 30% glycerol, 10% DMSO, 5 mM compound
|
Resolution 2.80 Å R-free 0.239 |
| 8C1F Aurora A kinase in complex with TPX2-inhibitor 6 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–388（263 aa）
Fragment：Aurora A kinase
|
Mutation：C290A | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 GOL GLYCEROL × 5 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 SO4 SULFATE ION × 6 DMS DIMETHYL SULFOXIDE × 1 T2O 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；30% PEG5000 MME, 0.1M (NH4)2SO4, 0.1 M MES 6.5: soaking: 31.5% PEG5000 MME, 0.09M (NH4)2SO4, 0.09 M MES 6.5, 10% DMSO, 5 mM compound
|
Resolution 1.92 Å R-free 0.234 |
| 8C1G Aurora A kinase in complex with TPX2-inhibitor 7 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–388（263 aa）
Fragment：Aurora A kinase
|
Mutation：C290A | T3I 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 GOL GLYCEROL × 1 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 SO4 SULFATE ION × 7 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；30% PEG5000 MME, 0.1M (NH4)2SO4, 0.1 M MES 6.5: soaking: 31.5% PEG5000 MME, 0.09M (NH4)2SO4, 0.09 M MES 6.5, 10% DMSO, 5 mM compound
|
Resolution 1.96 Å R-free 0.225 |
| 8C1H Aurora A kinase in complex with TPX2-inhibitor 8 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–388（263 aa）
Fragment：Aurora A kinase
|
Mutation：C290A | T3U 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 SO4 SULFATE ION × 5 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；30% PEG5000 MME, 0.1M (NH4)2SO4, 0.1 M MES 6.5: soaking: 31.5% PEG5000 MME, 0.09M (NH4)2SO4, 0.09 M MES 6.5, 10% DMSO, 5 mM compound
|
Resolution 2.23 Å R-free 0.245 |
| 8C1I Aurora A kinase in complex with TPX2-inhibitor 10 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–388（263 aa）
Fragment：Aurora A kinase
|
Mutation：C290A | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 T1L 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide × 1 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 SO4 SULFATE ION × 5 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；30% PEG5000 MME, 0.1M (NH4)2SO4, 0.1 M MES 6.5: soaking: 31.5% PEG5000 MME, 0.09M (NH4)2SO4, 0.09 M MES 6.5, 10% DMSO, 5 mM compound
|
Resolution 2.81 Å R-free 0.234 |
| 8C1K Aurora A kinase in complex with TPX2-inhibitor CAM2602 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–390（265 aa）
Fragment：Aurora A kinase
|
Mutation：C290A, C-terminal His6-tag | T4O 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 T5L (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid × 1 SO4 SULFATE ION × 5 DMS DIMETHYL SULFOXIDE × 3 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；30% PEG5000 MME, 0.1M (NH4)2SO4, 0.1 M MES 6.5: soaking: 31.5% PEG5000 MME, 0.09M (NH4)2SO4, 0.09 M MES 6.5, 10% DMSO, 5 mM compound
|
Resolution 2.43 Å R-free 0.242 |
| 8C1M Aurora A kinase in complex with TPX2-inhibitor 2 Deposited 2022-12-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
125–391（267 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 2 T4X 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；5% DMSO, 0.2M MgSO4, 0.05 M HEPES 7.4: soaking: 0.2M MgSO4, 0.05M HEPES 7.4, 30% glycerol, 10% DMSO, 5 mM compound
|
Resolution 2.84 Å R-free 0.269 |
| 8GUW Structure of Aurora Kinase A in complex with activator peptide Deposited 2022-09-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
123–403（281 aa）
Chain B
123–403（281 aa）
Chain C
123–403（281 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
LIQUID DIFFUSION；291 K；0.1M Tris pH 8.0, 0.2M lithium sulfate, 15% (w/v) polyethylene glycol 3350
|
Resolution 2.70 Å R-free 0.258 |
| 8JF4 The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 Deposited 2023-05-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–389（263 aa）
|
Not recorded | C0N 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M lithium sulfate, 0.1 M TRIS pH 8.5, 25% w/v PEG 3350
|
Resolution 2.89 Å R-free 0.300 |
| 8JG8 The crystal structure of human aurka kinase domain in the complex with aurka-compound 25 Deposited 2023-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–389（263 aa）
|
Not recorded | C74 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M lithium sulfate, 0.1 M TRIS pH 8.5, 25% w/v PEG 3350
|
Resolution 2.90 Å R-free 0.270 |
| 8JMX The crystal structure of human aurka kinase domain in complex with AURKA-A2 Deposited 2023-06-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–389（263 aa）
|
Not recorded | E47 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris-HCl (pH 8.5), 0.2 M lithium sulfate and 25% w/v PEG 3350
|
Resolution 2.95 Å R-free 0.306 |
| 8OF5 Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP Deposited 2023-03-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A C393A N332A Q335A | ADP ADENOSINE-5'-DIPHOSPHATE × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 GOL GLYCEROL × 4 MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 2 NO3 NITRATE ION × 2 MG MAGNESIUM ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；PEG 1000, PEG 3350, MPD, MOPS, Hepes, Magnesium chloride, Calcium chloride
|
Resolution 1.97 Å R-free 0.235 |
| 8PR7 Aurora-A in complex with CEP192 and an inhibitory monobody Deposited 2023-07-12 | 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
122–403（282 aa）
Chain D
122–403（282 aa）
|
Not recorded | ADP ADENOSINE-5'-DIPHOSPHATE × 2 GOL GLYCEROL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.06M Divalents, Buffer system 1 pH 6.5, 40% Ethylene glycol, 20% PEG 8000
|
Resolution 2.76 Å R-free 0.256 |
| 8SSO AurA bound to danusertib and inhibiting monobody Mb2 Deposited 2023-05-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 2 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；291.15 K；Crystals of AurA in complex with Mb2 and danusertib were obtained by combining 0.5 ul of 300 uM (10 mg/mL) AurA + 315 uM (4 mg/mL) Mb2 + 1 mM danusertib with 0.5 ul of 0.1 M BIS-TRIS pH 5.5 + 0.2 M Ammonium acetate + 25 percent PEG3350. Crystals were grown at 18 degC by sitting drop. Crystals were harvested and subsequently flash frozen
|
Resolution 1.97 Å R-free 0.234 |
| 8SSO AurA bound to danusertib and inhibiting monobody Mb2 Deposited 2023-05-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
122–403（282 aa）
|
Not recorded | 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；291.15 K；Crystals of AurA in complex with Mb2 and danusertib were obtained by combining 0.5 ul of 300 uM (10 mg/mL) AurA + 315 uM (4 mg/mL) Mb2 + 1 mM danusertib with 0.5 ul of 0.1 M BIS-TRIS pH 5.5 + 0.2 M Ammonium acetate + 25 percent PEG3350. Crystals were grown at 18 degC by sitting drop. Crystals were harvested and subsequently flash frozen
|
Resolution 1.97 Å R-free 0.234 |
| 8SSP AurA bound to danusertib and activating monobody Mb1 Deposited 2023-05-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 5 SO4 SULFATE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PO4 PHOSPHATE ION × 1 PDO 1,3-PROPANDIOL × 1 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291.15 K；Crystals of AurA in complex with Mb1 and danusertib were obtained by combining 2 uL of 300 uM (10 mg/mL) AurA + 315 uM (4 mg/mL) Mb1 + 2 mM AMPPCP + 4 mM MgCl2 with 2 ul reservoir of 0.1 M MES pH 6.5 + 0.2 M Ammonium sulfate + 4% (v/v) 1,3-propanediol + 15-18% PEG 8000. Streak seeding was used to obtain bigger crystals. Crystals were grown at 18 degC by hanging drop
|
Resolution 2.60 Å R-free 0.257 |
| 9BZG Targeting N-Myc in Neuroblastoma with Selective Aurora Kinase A Degraders Deposited 2024-05-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393S Non-standard monomer：Yes (specific site not provided by mmCIF) | OG0 7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Sodium Citrate
16% PEG 3000
15 mg/mL AurA
|
Resolution 1.80 Å R-free 0.220 |
| 9BZL Targeting N-Myc in Neuroblastoma with Selective Aurora Kinase A Degraders Deposited 2024-05-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
122–403（282 aa）
|
Mutation：C290A, C393S Non-standard monomer：Yes (specific site not provided by mmCIF) | OGR 7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；0.1 M Sodium Citrate
15 mg/ml AurA
|
Resolution 1.81 Å R-free 0.214 |
| 9GUC Adhiron-mediated Identification of a Novel and Selective Allosteric Pocket in Aurora Kinase A Deposited 2024-09-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393A | ADP ADENOSINE-5'-DIPHOSPHATE × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 AMP ADENOSINE MONOPHOSPHATE × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；Molecular Dimensions (Morpheous-Fusion)Condition E6
90 mM LiNaK; 1.2 % Cholic acid derivative; 0.1 M Buffer System 2 (0.5M Sodium HEPES; 0.5M MOPS
(acid)); 7.5pH; 30 % Precipitant Mix 1 (40% v/v PEG 500 MME; 20 % w/v
PEG 20000)
|
Resolution 2.10 Å R-free 0.232 |
| 9KDS The crystal structure of human AURKA kinase domain in complex with RA1 Deposited 2024-11-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
126–391（266 aa）
|
Mutation：C290A 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, HANGING DROP；pH 4.5；298 K；0.1 M Sodium acetate, pH 4.5, 0.2 M Li2SO4,50% PEG 400
|
Resolution 2.50 Å R-free 0.253 |
| 9KS6 The crystal structure of AURKA in complex with K-CNBA-1 Deposited 2024-11-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
127–391（265 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, HANGING DROP；pH 5；293.15 K；0.1 M Sodium acetate (pH 5.0), 0.2 M lithium sulfate and 40% w/v PEG 400
|
Resolution 2.75 Å R-free 0.267 |
| 9QVZ Adhiron-mediated Identification of a Novel and Selective Allosteric Pocket in Aurora Kinase A Deposited 2025-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
122–403（282 aa）
|
Mutation：C290A, C393A | ADP ADENOSINE-5'-DIPHOSPHATE × 1 PEG DI(HYDROXYETHYL)ETHER × 6 LI LITHIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；Molecular Dimensions (Morpheous-Fusion)Condition E6
90 mM LiNaK; 1.2 % Cholic acid derivative; 0.1 M Buffer System 2 (0.5M Sodium HEPES; 0.5M MOPS
(acid)); 7.5pH; 30 % Precipitant Mix 1 (40% v/v PEG 500 MME; 20 % w/v
PEG 20000)
|
Resolution 2.39 Å R-free 0.336 |
| 9SUY TPX2 7-20 fused to Aurora-A residues 116-389, covalently modified on Cys290 by F104 (7-((perfluorophenyl)sulfonyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine) Deposited 2025-09-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
116–389（274 aa）
|
Mutation：D274N | MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 A1JQV 7-[2,3,5,6-tetrakis(fluoranyl)phenyl]sulfonyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine × 1 GOL GLYCEROL × 1 PGE TRIETHYLENE GLYCOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；Morpheus fusion condition E4 (0.1M Carboxylic acids, 1.2% Cholic acid derivative, 0.1M Buffer system 1, 30% precipitant mix 3).
|
Resolution 2.27 Å R-free 0.251 |
190 other PDB entries and 231 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | AURKA_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 2–276； UniProt 125–399 Author chain B； PDBConstruct 2–276； UniProt 125–399 |
