7TYB
 
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4CS2
 | | Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in its apo form | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRROLYSINE--TRNA LIGASE | | Authors: | Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
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5O0J
 | | ADP-dependent glucokinase from Pyrococcus horikoshii | | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, ADP-dependent glucokinase, alpha-D-glucopyranose | | Authors: | Grudnik, P, Dubin, G. | | Deposit date: | 2017-05-16 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide.
J. Biol. Chem., 293, 2018
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4D0N
 | | AKAP13 (AKAP-Lbc) RhoGEF domain in complex with RhoA | | Descriptor: | 1,2-ETHANEDIOL, A-KINASE ANCHOR PROTEIN 13, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M. | | Deposit date: | 2014-04-29 | | Release date: | 2014-05-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
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5O7F
 | | Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with GMP and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Witte, G, Drexler, D, Mueller, M. | | Deposit date: | 2017-06-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Structure, 25, 2017
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5QQN
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-010-382-606 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQE
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-531-494 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQK
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-359-835 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQG
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-541-216 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQM
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-565-325 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQF
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-004-412-710 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-1,3-thiazol-2-ylurea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQJ
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-587-558 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5O58
 | | Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with substrate 5'-pApG | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | | Authors: | Witte, G, Drexler, D, Mueller, M. | | Deposit date: | 2017-06-01 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Structure, 25, 2017
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5QQL
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-565-301 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQH
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-020-096-465 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QQI
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-178-994 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6TKY
 | | Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42 | | Descriptor: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL | | Authors: | Barford, D, Fan, D, Cronin, N, Yang, J. | | Deposit date: | 2019-11-29 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10
Biorxiv, 2022
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5QU9
 | | PanDDA analysis group deposition of ground-state model of Kalirin/Rac1 screened against a customized urea fragment library by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, Ras-related C3 botulinum toxin substrate 1 | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-12-13 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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5QQD
 | | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with Z56880342 | | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | | Deposit date: | 2019-05-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6CZL
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6TKZ
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5O0I
 | | ADP-dependent glucokinase from Pyrococcus horikoshii | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADP-dependent glucokinase, ... | | Authors: | Grudnik, P, Dubin, G. | | Deposit date: | 2017-05-16 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide.
J. Biol. Chem., 293, 2018
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4AS0
 | | Cyclometalated Phthalimides as Protein Kinase Inhibitors | | Descriptor: | PHTALIMIDE-RUTHENIUM COMPLEX, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Blanck, S, Geisselbrecht, Y, Middel, S, Mietke, T, Harms, K, Essen, L.-O, Meggers, E. | | Deposit date: | 2012-04-27 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bioactive Cyclometalated Phthalimides: Design, Synthesis and Kinase Inhibition.
Dalton Trans, 41, 2012
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4E5D
 | | 2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex | | Descriptor: | 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole, Luciferin 4-monooxygenase | | Authors: | Lovell, S, Battaile, K.P, Throne, N, Shen, M, Auld, D.S, Inglese, J. | | Deposit date: | 2012-03-14 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter.
Chem.Biol., 19, 2012
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5LDI
 | | Crystal structure of E.coli LigT in apo form | | Descriptor: | CHLORIDE ION, RNA 2',3'-cyclic phosphodiesterase | | Authors: | Myllykoski, M, Kursula, P. | | Deposit date: | 2016-06-27 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
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