7GQL
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![BU of 7gql by Molmil](/molmil-images/mine/7gql) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53833304 | Descriptor: | 1-ethyl-1H-benzimidazole, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GQI
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![BU of 7gqi by Molmil](/molmil-images/mine/7gqi) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z27782662 | Descriptor: | N-phenylcyclopropanecarboxamide, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GQ0
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![BU of 7gq0 by Molmil](/molmil-images/mine/7gq0) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00025345 | Descriptor: | 2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | PanDDA analysis group deposition To Be Published
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4C8B
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![BU of 4c8b by Molmil](/molmil-images/mine/4c8b) | Structure of the kinase domain of human RIPK2 in complex with ponatinib | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Canning, P, Krojer, T, Bradley, A, Mahajan, P, Goubin, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-09-30 | Release date: | 2013-10-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Inflammatory Signaling by NOD-RIPK2 Is Inhibited by Clinically Relevant Type II Kinase Inhibitors. Chem. Biol., 22, 2015
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4D0N
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![BU of 4d0n by Molmil](/molmil-images/mine/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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4BGG
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![BU of 4bgg by Molmil](/molmil-images/mine/4bgg) | Crystal structure of the ACVR1 kinase in complex with LDN-213844 | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine, ACTIVIN RECEPTOR TYPE-1, ... | Authors: | Sanvitale, C, Canning, P, Cooper, C, Wang, Y, Mohedas, A.H, Choi, S, Yu, P.B, Cuny, G.D, Nowak, R, Coutandin, D, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-26 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structure-Activity Relationship of 3,5-Diaryl-2-Aminopyridine Alk2 Inhibitors Reveals Unaltered Binding Affinity for Fibrodysplasia Ossificans Progressiva Causing Mutants. J.Med.Chem., 57, 2014
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4DO0
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![BU of 4do0 by Molmil](/molmil-images/mine/4do0) | Crystal Structure of human PHF8 in complex with Daminozide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DAMINOZIDE, ... | Authors: | Krojer, T, Daniel, M, Ng, S.S, Walport, L.J, Chowdhury, R, Arrowsmith, C.H, Edwards, A, Bountra, C, Kawamura, A, Muller-Knapp, S, McDonough, M.A, von Delft, F, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2012-02-09 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: |
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4COS
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![BU of 4cos by Molmil](/molmil-images/mine/4cos) | Crystal structure of the PHD-Bromo-PWWP cassette of human PRKCBP1 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION | Authors: | Krojer, T, Savitsky, P, Newman, J.A, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Filippakopoulos, P. | Deposit date: | 2014-01-30 | Release date: | 2014-03-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin. Cell Rep, 17, 2016
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4BKW
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![BU of 4bkw by Molmil](/molmil-images/mine/4bkw) | Crystal structure of the C-terminal region of human ZFYVE9 | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, ZINC FINGER FYVE DOMAIN-CONTAINING PROTEIN 9 | Authors: | Williams, E, Krojer, T, Vollmar, M, Shrestha, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-04-30 | Release date: | 2013-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal Structure of the C-Terminal Region of Human Zfyve9 Ph D Thesis, 2013
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4BBM
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![BU of 4bbm by Molmil](/molmil-images/mine/4bbm) | CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312 | Descriptor: | 1,2-ETHANEDIOL, 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL, CHLORIDE ION, ... | Authors: | Canning, P, Elkins, J.M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A. | Deposit date: | 2012-09-26 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
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4BGQ
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![BU of 4bgq by Molmil](/molmil-images/mine/4bgq) | Crystal structure of the human CDKL5 kinase domain | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CYCLIN-DEPENDENT KINASE-LIKE 5, ... | Authors: | Canning, P, Krojer, T, Goubin, S, Mahajan, P, Vollmar, M, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-03-28 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
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4E96
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![BU of 4e96 by Molmil](/molmil-images/mine/4e96) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1 | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-20 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J.Med.Chem., 55, 2012
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4CO8
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![BU of 4co8 by Molmil](/molmil-images/mine/4co8) | Structure of the DNA binding ETS domain of human ETV4 | Descriptor: | 1,2-ETHANEDIOL, ETS TRANSLOCATION VARIANT 4 | Authors: | Newman, J.A, Cooper, C.D.O, Shrestha, L, Burgess-Brown, N, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2014-01-27 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation. J.Biol.Chem., 290, 2015
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7FSV
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![BU of 7fsv by Molmil](/molmil-images/mine/7fsv) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1454310449 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FT9
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![BU of 7ft9 by Molmil](/molmil-images/mine/7ft9) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695 | Descriptor: | 1,2-ETHANEDIOL, 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSR
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![BU of 7fsr by Molmil](/molmil-images/mine/7fsr) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z54615640 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FTA
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![BU of 7fta by Molmil](/molmil-images/mine/7fta) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380 | Descriptor: | 1,2-ETHANEDIOL, 3-[(pyrimidin-2-yl)amino]benzoic acid, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSJ
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![BU of 7fsj by Molmil](/molmil-images/mine/7fsj) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57744712 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSU
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![BU of 7fsu by Molmil](/molmil-images/mine/7fsu) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z729726784 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FTB
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![BU of 7ftb by Molmil](/molmil-images/mine/7ftb) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1198269757 | Descriptor: | 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FST
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![BU of 7fst by Molmil](/molmil-images/mine/7fst) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z26968795 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSM
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![BU of 7fsm by Molmil](/molmil-images/mine/7fsm) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z763030030 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSP
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![BU of 7fsp by Molmil](/molmil-images/mine/7fsp) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1650168321 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSG
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![BU of 7fsg by Molmil](/molmil-images/mine/7fsg) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z56772132 | Descriptor: | (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione, 1,2-ETHANEDIOL, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSY
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![BU of 7fsy by Molmil](/molmil-images/mine/7fsy) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1148165337 | Descriptor: | 1,2-ETHANEDIOL, 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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