7Z4S
| Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | Authors: | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | Deposit date: | 2022-03-04 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease. Nat.Chem., 15, 2023
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8AAU
| LIM Domain Kinase 1 (LIMK1) bound to LIMKi3 | Descriptor: | 1,2-ETHANEDIOL, LIM domain kinase 1, MAGNESIUM ION, ... | Authors: | Mathea, S, Salah, E, Hanke, T, Knapp, S. | Deposit date: | 2022-07-03 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes. J.Med.Chem., 65, 2022
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8B2T
| SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | Deposit date: | 2022-09-14 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine. J.Med.Chem., 66, 2023
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3BKB
| Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES) | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ... | Authors: | Filippakopoulos, P, Salah, E, Fedorov, O, Cooper, C, Ugochukwu, E, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-06 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
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6FIC
| Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem | Descriptor: | 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide, Transcription initiation factor TFIID subunit 1 | Authors: | Mathea, S, Suh, J.L, Salah, E, Tallant, C, Siejka, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, James, L.I, Frye, S.V, Knapp, S. | Deposit date: | 2018-01-17 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem To Be Published
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6FDY
| Unc-51-Like Kinase 3 (ULK3) In Complex With Bosutinib | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Serine/threonine-protein kinase ULK3 | Authors: | Mathea, S, Salah, E, Moroglu, M, Scorah, A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Knapp, S. | Deposit date: | 2017-12-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unc-51-Like Kinase 3 (ULK3) In Complex With Bosutinib To Be Published
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6FDZ
| Unc-51-Like Kinase 3 (ULK3) In Complex With Momelotinib | Descriptor: | Momelotinib, Serine/threonine-protein kinase ULK3 | Authors: | Mathea, S, Salah, E, Moroglu, M, Scorah, A, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Knapp, S. | Deposit date: | 2017-12-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Unc-51-Like Kinase 3 (ULK3) In Complex With Momelotinib To Be Published
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2ATV
| The crystal structure of human RERG in the GDP bound state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like estrogen-regulated growth inhibitor | Authors: | Turnbull, A.P, Salah, E, Schoch, G, Elkins, J, Burgess, N, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-26 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human RERG in the GDP bound state To be Published
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2CLQ
| Structure of mitogen-activated protein kinase kinase kinase 5 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, STAUROSPORINE | Authors: | Bunkoczi, G, Salah, E, Fedorov, O, Pike, A, Gileadi, O, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | Deposit date: | 2006-04-28 | Release date: | 2006-05-09 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Characterization of the Human Protein Kinase Ask1. Structure, 15, 2007
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4DYL
| F-BAR domain of human FES tyrosine kinase | Descriptor: | Tyrosine-protein kinase Fes/Fps | Authors: | Ugochukwu, E, Salah, E, Elkins, J, Barr, A, Krojer, T, Filippakopoulos, P, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-02-29 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | F-BAR domain of human FES tyrosine kinase TO BE PUBLISHED
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3G0L
| Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Filippakopoulos, P, Keates, T, Salah, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-28 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal Structure of Human Bromodomain Adjacent to Zinc finger domain 2B (BAZ2B) To be Published
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3I3N
| Crystal structure of the BTB-BACK domains of human KLHL11 | Descriptor: | CHLORIDE ION, Kelch-like protein 11, THIOCYANATE ION | Authors: | Murray, J.W, Cooper, C.D.O, Krojer, T, Mahajan, P, Salah, E, Keates, T, Savitsky, P, Pike, A.C.W, Roos, A, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-30 | Release date: | 2009-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the BTB-BACK domains of human KLHL11 To be Published
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3CD3
| Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide | Descriptor: | CHLORIDE ION, Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, ... | Authors: | Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-26 | Release date: | 2008-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
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3CBL
| Crystal structure of human feline sarcoma viral oncogene homologue (v-FES) in complex with staurosporine and a consensus peptide | Descriptor: | Proto-oncogene tyrosine-protein kinase Fes/Fps, STAUROSPORINE, Synthetic peptide | Authors: | Filippakopoulos, P, Salah, E, Cooper, C, Picaud, S.S, Elkins, J.M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-22 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Coupling of SH2-Kinase Domains Links Fes and Abl Substrate Recognition and Kinase Activation Cell(Cambridge,Mass.), 134, 2008
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3EPY
| Crystal Structure of human acyl-CoA binding domain 7 complexed with palmitoyl-Coa | Descriptor: | Acyl-CoA-binding domain-containing protein 7, COENZYME A, PALMITIC ACID | Authors: | Kavanagh, K.L, Salah, E, Yue, W.W, Savitsky, P, Murray, J.W, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-30 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Crystal Structure of human acyl-CoA binding domain 7 complexed with palmitoyl-Coa To be Published
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2NZJ
| The crystal structure of REM1 in complex with GDP | Descriptor: | CHLORIDE ION, GTP-binding protein REM 1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Elkins, J.M, Soundararajan, M, Yang, X, Gorrec, F, Umeano, C, Salah, E, Burgess, N, Johansson, C, Berridge, G, Gileadi, O, Bray, J, Marsden, B, Watts, S, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-23 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of REM1 in complex with GDP To be Published
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2OCS
| The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) | Descriptor: | 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2, THIOCYANATE ION | Authors: | Papagrigoriou, E, Phillips, C, Gileadi, C, Elkins, J, Salah, E, Berridge, G, Savitsky, P, Gorrec, F, Umeano, C, Ugochukwu, E, Gileadi, O, Burgess, N, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-21 | Release date: | 2007-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) To be Published
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2OPG
| The crystal structure of the 10th PDZ domain of MPDZ | Descriptor: | Multiple PDZ domain protein, SODIUM ION | Authors: | Gileadi, C, Phillips, C, Elkins, J, Papagrigoriou, E, Ugochukwu, E, Gorrec, F, Savitsky, P, Umeano, C, Berridge, G, Gileadi, O, Salah, E, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-29 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the 10th PDZ domain of MPDZ To be Published
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2QG1
| Crystal structure of the 11th PDZ domain of MPDZ (MUPP1) | Descriptor: | 1,2-ETHANEDIOL, Multiple PDZ domain protein | Authors: | Papagrigoriou, E, Salah, E, Phillips, C, Savitsky, P, Boisguerin, P, Oschkinat, H, Gileadi, C, Yang, X, Elkins, J.M, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-28 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the 11th PDZ domain of MPDZ (MUPP1). To be Published
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3ZON
| Human TYK2 pseudokinase domain bound to a kinase inhibitor | Descriptor: | 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2 | Authors: | Elkins, J.M, Wang, J, Krojer, T, Savitsky, P, Chalk, R, Daga, N, Salah, E, Berridge, G, Picaud, S, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-02-22 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor To be Published
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4A9Z
| CRYSTAL STRUCTURE OF HUMAN P63 TETRAMERIZATION DOMAIN | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, TUMOR PROTEIN 63 | Authors: | Muniz, J.R.C, Coutandin, D, Salah, E, Chaikuad, A, Vollmar, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, von Delft, F, Knapp, S. | Deposit date: | 2011-11-30 | Release date: | 2011-12-07 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal Structure of Human P63 Tetramerization Domain To be Published
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4AOT
| Crystal Structure of Human Serine Threonine Kinase-10 (LOK) Bound to GW830263A | Descriptor: | 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, Canning, P, von Delft, F, Yue, W, Liu, Y, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-03-29 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to Gw830263A To be Published
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4BC6
| Crystal structure of human serine threonine kinase-10 bound to novel Bosutinib Isoform 1, previously thought to be Bosutinib | Descriptor: | 1,2-ETHANEDIOL, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Vollmar, M, Szklarz, M, Chaikuad, A, Elkins, J, Savitsky, P, Azeez, K.A, Salah, E, Krojer, T, Canning, P, Muniz, J.R.C, Bountra, C, Arrowsmith, C.H, von Delft, F, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2012-10-01 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to be Bosutinib To be Published
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4C9X
| Crystal structure of NUDT1 (MTH1) with S-crizotinib | Descriptor: | 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
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4C9W
| Crystal structure of NUDT1 (MTH1) with R-crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
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