2PNT
| Crystal structure of the PDZ domain of human GRASP (GRP1) in complex with the C-terminal peptide of the metabotropic glutamate receptor type 1 | Descriptor: | CHLORIDE ION, General receptor for phosphoinositides 1-associated scaffold protein | Authors: | Elkins, J, Papagrigoriou, E, Cooper, C, Gileadi, C, Uppenberg, J, Bray, J, von Delft, F, Pike, A.C.W, Ugochukwu, E, Umeano, C, Gileadi, O, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-25 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms Protein Sci., 19, 2010
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2Q3G
| Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7 | Authors: | Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-30 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms Protein Sci., 19, 2010
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2W7R
| Structure of the PDZ domain of Human Microtubule associated serine- threonine kinase 4 | Descriptor: | MICROTUBULE-ASSOCIATED SERINE/THREONINE-PROTEIN KINASE 4, PHOSPHATE ION | Authors: | Muniz, J.R.C, Elkins, J, Wang, J, Savitzky, P, Roos, A, Salah, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2008-12-24 | Release date: | 2009-05-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms. Protein Sci., 19, 2010
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2UZC
| Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5 | Authors: | Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D. | Deposit date: | 2007-04-27 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms. Protein Sci., 19, 2010
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2V1W
| Crystal structure of human LIM protein RIL (PDLIM4) PDZ domain bound to the C-terminal peptide of human alpha-actinin-1 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PDZ AND LIM DOMAIN PROTEIN 4, ... | Authors: | Soundararajan, M, Shrestha, L, Pike, A.C.W, Salah, E, Burgess-Brown, N, Elkins, J, Umeano, C, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | Deposit date: | 2007-05-30 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms. Protein Sci., 19, 2010
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2JJD
| Protein Tyrosine Phosphatase, Receptor Type, E isoform | Descriptor: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE EPSILON | Authors: | Elkins, J.M, Ugochukwu, E, Alfano, I, Barr, A.J, Bunkoczi, G, King, O.N.F, Filippakopoulos, P, Savitsky, P, Salah, E, Pike, A, Johansson, C, Das, S, Burgess-Brown, N.A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2008-03-31 | Release date: | 2008-04-08 | Last modified: | 2012-06-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome. Cell(Cambridge,Mass.), 136, 2009
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4PNK
| G protein-coupled receptor kinase 2 in complex with GSK180736A | Descriptor: | (4S)-4-(4-fluorophenyl)-N-(2H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Homan, K.T, Larimore, K.M, Elkins, J, Knapp, S, Tesmer, J.J.G. | Deposit date: | 2014-05-23 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors. Acs Chem.Biol., 10, 2015
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3D8C
| Factor inhibiting HIF-1 alpha D201G mutant in complex with ZN(II), alpha-ketoglutarate and HIF-1 alpha 19mer | Descriptor: | 2-OXOGLUTARIC ACID, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ... | Authors: | McDonough, M.A, Chowdhury, R, Schofield, C.J. | Deposit date: | 2008-05-23 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH). J.Biol.Chem., 283, 2008
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8RDZ
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8RD7
| HUWE1 WWE domain in complex with ADP-ribose | Descriptor: | ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, ... | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8R5N
| DTX1 WWE domain in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase DTX1 | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-11-17 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.812 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8R6B
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8R7O
| HUWE1 WWE domain in complex with 2'F-ATP | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, SODIUM ION, ... | Authors: | Muenzker, L, Boettcher, J. | Deposit date: | 2023-11-27 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8RD1
| HUWE1 WWE domain in complex with compound 4 | Descriptor: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8R6A
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8RD0
| HUWE1 WWE domain in complex with compound 3 | Descriptor: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | Authors: | Muenzker, L, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8V42
| Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 | Descriptor: | (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Counago, R.M, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Arruda, P. | Deposit date: | 2023-11-28 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1 delta / epsilon. J.Med.Chem., 67, 2024
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4BKN
| Human Dihydropyrimidinase-related protein 3 (DPYSL3) | Descriptor: | DIHYDROPYRIMIDINASE-RELATED PROTEIN 3 | Authors: | Mathea, S, Elkins, J.M, Alegre-Abarrategui, J, Shrestha, L, Burgess-Brown, N, Puranik, S, Coutandin, D, Bradley, A, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2013-04-26 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Dpysl3 To be Published
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4GW8
| Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ... | Authors: | Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-01 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. J.Med.Chem., 55, 2012
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4PNI
| Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A | Descriptor: | 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide, CHLORIDE ION, Rhodopsin kinase | Authors: | Homan, K.T, Tesmer, J.J.G. | Deposit date: | 2014-05-23 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors. Acs Chem.Biol., 10, 2015
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6YQ1
| FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide | Descriptor: | Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ... | Authors: | Musil, D, Heinrich, T, Amaral, M. | Deposit date: | 2020-04-16 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chem Biol, 28, 2021
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6YR9
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6YOJ
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6YT6
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6YVS
| FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one | Descriptor: | 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one, Focal adhesion kinase 1, SULFATE ION | Authors: | Musil, D, Heinrich, T, Amaral, M. | Deposit date: | 2020-04-28 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chem Biol, 28, 2021
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