3MTS
 
 | | Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1 | | Descriptor: | Histone-lysine N-methyltransferase SUV39H1 | | Authors: | Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
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3N3K
 | | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-20 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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5MQ4
 | | Crystal Structure of the leucine zipper of human PRKCBP1 | | Descriptor: | Protein kinase C-binding protein 1, SULFATE ION, ZINC ION | | Authors: | Krojer, T, Savitsky, P, Picaud, S, Newman, J, Tallant, C, Heroven, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. | | Deposit date: | 2016-12-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the leucine zipper of human PRKCBP1
To Be Published
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3II7
 | | Crystal structure of the kelch domain of human KLHL7 | | Descriptor: | 1,2-ETHANEDIOL, Kelch-like protein 7 | | Authors: | Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-31 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases.
J.Biol.Chem., 288, 2013
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6OGJ
 | | MeCP2 MBD in complex with DNA | | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*GP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*CP*AP*CP*TP*CP*CP*G)-3'), Methyl-CpG-binding protein 2, ... | | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-04-02 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain.
Biochim Biophys Acta Gene Regul Mech, 1862, 2019
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5HTC
 | | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372 | | Descriptor: | (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ... | | Authors: | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-01-26 | | Release date: | 2016-03-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Acta Crystallogr.,Sect.F, 72, 2016
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5MG2
 | | Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1 | | Authors: | Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-11-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
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5L78
 | | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) | | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | | Authors: | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | | Deposit date: | 2016-06-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
To Be Published
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3QII
 | | Crystal structure of tudor domain 2 of human PHD finger protein 20 | | Descriptor: | PHD finger protein 20, UNKNOWN ATOM OR ION | | Authors: | Li, Z, Tempel, W, Wernimont, A.K, Chao, X, Bian, C, Lam, R, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-01-27 | | Release date: | 2011-02-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of the Tudor domains of human PHF20 reveal novel structural variations on the Royal Family of proteins.
Febs Lett., 586, 2012
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5FDX
 | | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-10-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
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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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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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3UMN
 | | Crystal Structure of Lamin-B1 | | Descriptor: | Lamin-B1 | | Authors: | Xu, C, Bian, C.B, Amaya, M.F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-14 | | Release date: | 2011-11-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the coil 2B fragment and the globular tail domain of human lamin B1.
Febs Lett., 586, 2012
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3CXW
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand I | | Descriptor: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Pimtide peptide, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
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4I79
 | | Crystal structure of human NUP43 | | Descriptor: | Nucleoporin Nup43, UNKNOWN ATOM OR ION, floating chain, ... | | Authors: | Xu, C, Tempel, W, Li, Z, He, H, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-11-30 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of human nuclear pore complex component NUP43.
Febs Lett., 589, 2015
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3CY2
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II | | Descriptor: | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
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3OMU
 | | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative | | Descriptor: | 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Heat shock protein 83 | | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-27 | | Release date: | 2010-10-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
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4LZ2
 | | Crystal structure of the bromodomain of human BAZ2A | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | | Authors: | Tallant, C, Nunez-Alonso, G, Picaud, S, Filippakopoulos, P, Krojer, T, Bradley, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-07-31 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
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6I1S
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201 | | Descriptor: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione, 1,2-ETHANEDIOL, Activin receptor type-1, ... | | Authors: | Williams, E.P, Pinkas, D.M, Fortin, J, Newman, J.A, Bradshaw, W.J, Mahajan, P, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2018-10-30 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Mutant ACVR1 Arrests Glial Cell Differentiation to Drive Tumorigenesis in Pediatric Gliomas.
Cancer Cell, 37, 2020
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4HSG
 | | Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | | Descriptor: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION | | Authors: | Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-10-30 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
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7Q63
 | | The tandem SH2 domains of SYK | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-05 | | Release date: | 2021-11-24 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
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7Q5W
 | | The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
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7Q5T
 | | The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
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7Q5U
 | | The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | | Deposit date: | 2021-11-04 | | Release date: | 2021-11-24 | | Last modified: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
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