1BTN
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![BU of 1btn by Molmil](/molmil-images/mine/1btn) | STRUCTURE OF THE BINDING SITE FOR INOSITOL PHOSPHATES IN A PH DOMAIN | Descriptor: | BETA-SPECTRIN, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE | Authors: | Wilmanns, M, Hyvoenen, M, Saraste, M. | Deposit date: | 1995-08-23 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the binding site for inositol phosphates in a PH domain. EMBO J., 14, 1995
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6S44
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6XUF
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![BU of 6xuf by Molmil](/molmil-images/mine/6xuf) | HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21 | Descriptor: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Scott, D.E, Hyvonen, M.E. | Deposit date: | 2020-01-19 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.241 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To be published
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1MPH
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![BU of 1mph by Molmil](/molmil-images/mine/1mph) | PLECKSTRIN HOMOLOGY DOMAIN FROM MOUSE BETA-SPECTRIN, NMR, 50 STRUCTURES | Descriptor: | BETA SPECTRIN | Authors: | Nilges, M, Macias, M.J, O'Donoghue, S.I, Oschkinat, H. | Deposit date: | 1997-04-23 | Release date: | 1997-06-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrin. J.Mol.Biol., 269, 1997
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1BWN
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![BU of 1bwn by Molmil](/molmil-images/mine/1bwn) | PH DOMAIN AND BTK MOTIF FROM BRUTON'S TYROSINE KINASE MUTANT E41K IN COMPLEX WITH INS(1,3,4,5)P4 | Descriptor: | BRUTON'S TYROSINE KINASE, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ZINC ION | Authors: | Djinovic Carugo, K, Baraldi, E, Hyvoenen, M, Lo Surdo, P, Riley, A, Potter, B, Saraste, M. | Deposit date: | 1998-09-25 | Release date: | 1999-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the PH domain from Bruton's tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate. Structure Fold.Des., 7, 1999
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1B55
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![BU of 1b55 by Molmil](/molmil-images/mine/1b55) | PH DOMAIN FROM BRUTON'S TYROSINE KINASE IN COMPLEX WITH INOSITOL 1,3,4,5-TETRAKISPHOSPHATE | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, TYROSINE-PROTEIN KINASE BTK, ZINC ION | Authors: | Djinovic Carugo, K, Baraldi, E, Hyvoenen, M, Lo Surdo, P, Riley, A.M, Potter, B.V.L, O'Brien, R, Ladbury, J.E, Saraste, M. | Deposit date: | 1999-01-12 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the PH domain from Bruton's tyrosine kinase in complex with inositol 1,3,4,5-tetrakisphosphate. Structure Fold.Des., 7, 1999
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6FVG
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![BU of 6fvg by Molmil](/molmil-images/mine/6fvg) | The Structure of CK2alpha with CCh507 bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate | Authors: | Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. | Deposit date: | 2018-03-02 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors. Sci Rep, 9, 2019
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6FVF
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![BU of 6fvf by Molmil](/molmil-images/mine/6fvf) | The Structure of CK2alpha with CCh503 bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate | Authors: | Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. | Deposit date: | 2018-03-02 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors. Sci Rep, 9, 2019
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5UM2
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![BU of 5um2 by Molmil](/molmil-images/mine/5um2) | |
6Y6Z
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![BU of 6y6z by Molmil](/molmil-images/mine/6y6z) | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate | Authors: | Newman, H, Bellini, D, Dowson, C.G. | Deposit date: | 2020-02-27 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion. Chem Sci, 11, 2020
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6Y6U
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![BU of 6y6u by Molmil](/molmil-images/mine/6y6u) | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6 | Descriptor: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, D, Dowson, C.G. | Deposit date: | 2020-02-27 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
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5QUE
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5QUH
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![BU of 5quh by Molmil](/molmil-images/mine/5quh) | |
5QUF
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![BU of 5quf by Molmil](/molmil-images/mine/5quf) | |
5QUD
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![BU of 5qud by Molmil](/molmil-images/mine/5qud) | |
5QUG
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![BU of 5qug by Molmil](/molmil-images/mine/5qug) | |
5QUB
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![BU of 5qub by Molmil](/molmil-images/mine/5qub) | |
5QUO
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![BU of 5quo by Molmil](/molmil-images/mine/5quo) | |
5QUC
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![BU of 5quc by Molmil](/molmil-images/mine/5quc) | |
5QUI
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![BU of 5qui by Molmil](/molmil-images/mine/5qui) | |
5QUQ
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![BU of 5quq by Molmil](/molmil-images/mine/5quq) | |
5QUP
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5QUJ
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5QUK
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![BU of 5quk by Molmil](/molmil-images/mine/5quk) | Structure of unliganded HumRadA1.2 | Descriptor: | PHOSPHATE ION, RadA | Authors: | Marsh, M, Hyvonen, M. | Deposit date: | 2020-01-27 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
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5QUN
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![BU of 5qun by Molmil](/molmil-images/mine/5qun) | Structure of unliganded HumRadA1.6 | Descriptor: | PHOSPHATE ION, RadA | Authors: | Marsh, M, Hyvonen, M. | Deposit date: | 2020-01-27 | Release date: | 2021-03-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Optimisation of crystal forms for structure-guided drug discovery To be published
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