6R4C
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![BU of 6r4c by Molmil](/molmil-images/mine/6r4c) | Aurora-A in complex with shape-diverse fragment 57 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-01 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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6R4A
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![BU of 6r4a by Molmil](/molmil-images/mine/6r4a) | Aurora-A in complex with shape-diverse fragment 55 | Descriptor: | 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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2BHM
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![BU of 2bhm by Molmil](/molmil-images/mine/2bhm) | Crystal structure of VirB8 from Brucella suis | Descriptor: | TYPE IV SECRETION SYSTEM PROTEIN VIRB8 | Authors: | Bayliss, R, Baron, C, Waksman, G. | Deposit date: | 2005-01-14 | Release date: | 2005-03-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Two Core Subunits of the Bacterial Type Iv Secretion System, Virb8 from Brucella Suis and Comb10 from Helicobacter Pylori Proc.Natl.Acad.Sci.USA, 102, 2005
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1GYB
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![BU of 1gyb by Molmil](/molmil-images/mine/1gyb) | |
1GY5
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![BU of 1gy5 by Molmil](/molmil-images/mine/1gy5) | |
1GY7
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![BU of 1gy7 by Molmil](/molmil-images/mine/1gy7) | |
1GY6
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![BU of 1gy6 by Molmil](/molmil-images/mine/1gy6) | |
1O6P
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![BU of 1o6p by Molmil](/molmil-images/mine/1o6p) | |
1O6O
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![BU of 1o6o by Molmil](/molmil-images/mine/1o6o) | |
6HV0
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![BU of 6hv0 by Molmil](/molmil-images/mine/6hv0) | IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33 | Descriptor: | 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Bayliss, R, Bhatia, C, Collins, I. | Deposit date: | 2018-10-09 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
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1F59
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![BU of 1f59 by Molmil](/molmil-images/mine/1f59) | IMPORTIN-BETA-FXFG NUCLEOPORIN COMPLEX | Descriptor: | FXFG NUCLEOPORIN REPEATS, IMPORTIN BETA-1 | Authors: | Bayliss, R, Littlewood, T, Stewart, M. | Deposit date: | 2000-06-13 | Release date: | 2000-08-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the interaction between FxFG nucleoporin repeats and importin-beta in nuclear trafficking. Cell(Cambridge,Mass.), 102, 2000
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6SK9
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![BU of 6sk9 by Molmil](/molmil-images/mine/6sk9) | Nek2 bound to purine compound 51 | Descriptor: | 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase Nek2 | Authors: | Bayliss, R, Byrne, M.J, Mas-Droux, C. | Deposit date: | 2019-08-15 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
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1OL6
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1OL7
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1OL5
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![BU of 1ol5 by Molmil](/molmil-images/mine/1ol5) | Structure of Aurora-A 122-403, phosphorylated on Thr287, Thr288 and bound to TPX2 1-43 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RESTRICTED EXPRESSION PROLIFERATION ASSOCIATED PROTEIN 100, ... | Authors: | Bayliss, R, Conti, E. | Deposit date: | 2003-08-06 | Release date: | 2003-10-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Aurora-A Activation by Tpx2 at the Mitotic Spindle Mol.Cell, 12, 2003
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5M51
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![BU of 5m51 by Molmil](/molmil-images/mine/5m51) | Nek2 bound to arylaminopurine compound 8 | Descriptor: | 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide, Serine/threonine-protein kinase Nek2 | Authors: | Bayliss, R, Yeoh, S. | Deposit date: | 2016-10-20 | Release date: | 2016-11-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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5M53
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![BU of 5m53 by Molmil](/molmil-images/mine/5m53) | Nek2 bound to arylaminopurine inhibitor 11 | Descriptor: | 1,2-ETHANEDIOL, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bayliss, R, Carr, K.H. | Deposit date: | 2016-10-20 | Release date: | 2016-11-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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4Z7G
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5M55
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![BU of 5m55 by Molmil](/molmil-images/mine/5m55) | Nek2 bound to arylaminopurine 71 | Descriptor: | 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine, CHLORIDE ION, SULFATE ION, ... | Authors: | Bayliss, R. | Deposit date: | 2016-10-20 | Release date: | 2016-11-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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5M57
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![BU of 5m57 by Molmil](/molmil-images/mine/5m57) | Nek2 bound to arylaminopurine 6 | Descriptor: | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Serine/threonine-protein kinase Nek2 | Authors: | Bayliss, R. | Deposit date: | 2016-10-20 | Release date: | 2016-11-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
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1QMA
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![BU of 1qma by Molmil](/molmil-images/mine/1qma) | Nuclear Transport Factor 2 (NTF2) W7A mutant | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | Authors: | Bayliss, R, Ribbeck, K, Akin, D, Kent, H.M, Feldherr, C.M, Gorlich, D, Stewart, M.J. | Deposit date: | 1999-09-23 | Release date: | 2000-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interaction Betweeen Ntf2 and Xfxfg-Containing Nucleoporins is Required to Mediate Nuclear Import of Ran-Gdp J.Mol.Biol., 293, 1999
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6HJJ
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![BU of 6hjj by Molmil](/molmil-images/mine/6hjj) | Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2018-09-04 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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6HJK
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![BU of 6hjk by Molmil](/molmil-images/mine/6hjk) | Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2 | Descriptor: | (~{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, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2018-09-04 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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6R49
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![BU of 6r49 by Molmil](/molmil-images/mine/6r49) | Aurora-A in complex with shape-diverse fragment 39 | Descriptor: | (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, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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6R4B
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![BU of 6r4b by Molmil](/molmil-images/mine/6r4b) | Aurora-A in complex with shape-diverse fragment 56 | Descriptor: | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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