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PDB: 5 results

6R4D
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BU of 6r4d by Molmil
Aurora-A in complex with shape-diverse fragment 58
Descriptor: (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, 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 (2.009 Å)
Cite:Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
6R4B
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BU of 6r4b by Molmil
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
6R49
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BU of 6r49 by Molmil
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
6R4C
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BU of 6r4c by Molmil
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
6R4A
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BU of 6r4a by Molmil
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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