2XIQ
| Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, MALONYL-COENZYME A, ... | Authors: | Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Ugochukwu, E, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2010-06-30 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation. J.Biol.Chem., 285, 2010
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6OOV
| Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA | Descriptor: | DNA (5'-D(*CP*AP*AP*CP*GP*TP*TP*GP*TP*TP*TP*TP*T)-3'), Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-23 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA To Be Published
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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: | 2024-01-10 | 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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6FAE
| The Sec7 domain of IQSEC2 (Brag1) in complex with the small GTPase Arf1 | Descriptor: | 1,2-ETHANEDIOL, ADP-ribosylation factor 1, IQ motif and SEC7 domain-containing protein 2 | Authors: | Gray, J, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P, von Delft, F. | Deposit date: | 2017-12-15 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Targeting the Small GTPase Superfamily through their Regulatory Proteins. Angew.Chem.Int.Ed.Engl., 2019
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4XY8
| Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand | Descriptor: | 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, BROMIDE ION, Bromodomain-containing protein 9 | Authors: | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-02 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem., 58, 2015
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4D86
| Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-01-10 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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4CKR
| Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-01-07 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor. Acs Chem.Biol., 8, 2013
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6NEZ
| Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1 | Descriptor: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein | Authors: | Lin, Y.H, Dong, A, Tempel, W, McAuley, J, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-18 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1 to be published
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6NIM
| Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine | Descriptor: | Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ... | Authors: | Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-29 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine to be published
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6NP7
| Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) | Descriptor: | Bromodomain factor 2 protein | Authors: | Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-17 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) to be published
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6MIW
| WWE domain of human HUWE1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, E3 ubiquitin-protein ligase HUWE1, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Loppnau, P, Tempel, W, Wong, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-20 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | WWE domain of human HUWE1 To Be Published
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4XY9
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | Descriptor: | 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, Bromodomain-containing protein 4 | Authors: | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-02 | Release date: | 2015-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem., 58, 2015
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4XYA
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | Descriptor: | 1,2-ETHANEDIOL, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, Bromodomain-containing protein 4 | Authors: | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-02 | Release date: | 2015-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem., 58, 2015
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6OQM
| crystal structure of the MSH6 PWWP domain | Descriptor: | DNA mismatch repair protein Msh6, MAGNESIUM ION, SULFATE ION, ... | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-26 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | crystal structure of the MSH6 PWWP domain To Be Published
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6NEY
| Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi | Descriptor: | Uncharacterized protein | Authors: | Loppnau, P, Dong, A, Tempel, W, Lin, Y.H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-18 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi To Be Published
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6XTJ
| The high resolution structure of the FERM domain of human FERMT2 | Descriptor: | CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2 | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-16 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The high resolution structure of the FERM domain of human FERMT2 To Be Published
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6Y7F
| Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) | Descriptor: | CHLORIDE ION, Elongation of very long chain fatty acids protein 7, Octyl Glucose Neopentyl Glycol, ... | Authors: | Nie, L, Pike, A.C.W, Bushell, S.R, Chu, A, Cole, V, Speedman, D, Rodstrom, K.E.J, Kupinska, K, Shrestha, L, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-28 | Release date: | 2020-05-13 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Crystal structure of human ELOVL fatty acid elongase 7 (ELOVL7) TO BE PUBLISHED
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7ZEJ
| Crystal structure of the human MGC45594 gene product in complex with celecoxib. | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions. To Be Published
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6I5L
| Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | Descriptor: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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7W30
| Tudor domain of SMN in complex with a small molecule | Descriptor: | 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. | Deposit date: | 2021-11-24 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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6I5K
| Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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6Y41
| Fibrinogen-like globe domain of human ANGPTL2 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiopoietin-related protein 2, ... | Authors: | Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-19 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fibrinogen-like globe domain of human ANGPTL2 To Be Published
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6Y43
| Fibrinogen-like globe domain of human ANGPTL6 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Angiopoietin-related protein 6, ... | Authors: | Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-19 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fibrinogen-like globe domain of human ANGPTL6 To Be Published
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6WAJ
| Crystal structure of the UBL domain of human NLE1 | Descriptor: | NLE1, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-25 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the UBL domain of human NLE1 To be Published
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6WAD
| Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor | Descriptor: | 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-25 | Release date: | 2020-09-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor to be published
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