6WNX
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![BU of 6wnx by Molmil](/molmil-images/mine/6wnx) | FBXW11-SKP1 in complex with a pSer33/pSer37 Beta-Catenin peptide | Descriptor: | Catenin beta-1, F-box/WD repeat-containing protein 11, GLYCEROL, ... | Authors: | Ivanochko, D, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Boettcher, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-23 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | FBXW11-SKP1 in complex with a pSer33/pSer37 Beta-Catenin peptide To Be Published
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6T7K
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![BU of 6t7k by Molmil](/molmil-images/mine/6t7k) | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline | Descriptor: | 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ... | Authors: | Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-10-22 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline To Be Published
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6ZSL
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![BU of 6zsl by Molmil](/molmil-images/mine/6zsl) | Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution | Descriptor: | PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-07-15 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7UW8
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![BU of 7uw8 by Molmil](/molmil-images/mine/7uw8) | Drosophila melanogaster setdb1-tuor domain | Descriptor: | Histone-lysine N-methyltransferase eggless | Authors: | Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-05-03 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Drosophila melanogaster setdb1-tuor domain To Be Published
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6ZWR
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![BU of 6zwr by Molmil](/molmil-images/mine/6zwr) | p38a bound with SR92 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-28 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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1H2H
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![BU of 1h2h by Molmil](/molmil-images/mine/1h2h) | Crystal structure of TM1643 | Descriptor: | HYPOTHETICAL PROTEIN TM1643, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yang, Z, Savchenko, A, Edwards, A, Arrowsmith, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-08-08 | Release date: | 2002-08-15 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Aspartate dehydrogenase, a novel enzyme identified from structural and functional studies of TM1643. J. Biol. Chem., 278, 2003
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7A1F
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![BU of 7a1f by Molmil](/molmil-images/mine/7a1f) | Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ... | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-08-12 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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6NEY
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![BU of 6ney by Molmil](/molmil-images/mine/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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6NEZ
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![BU of 6nez by Molmil](/molmil-images/mine/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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5MLE
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![BU of 5mle by Molmil](/molmil-images/mine/5mle) | Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2 13-516) Mutant Y479E/Y499E | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dihydropyrimidinase-related protein 2, ... | Authors: | Sethi, R, Zheng, Y, Talon, R, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | Deposit date: | 2016-12-06 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation. Nat Commun, 9, 2018
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6S5H
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![BU of 6s5h by Molmil](/molmil-images/mine/6s5h) | Structure of the human RAB38 in complex with GTP | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2019-07-01 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the human RAB38 in complex with GTP To Be Published
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5LWN
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![BU of 5lwn by Molmil](/molmil-images/mine/5lwn) | Crystal structure of JAK3 in complex with Compound 5 (FM409) | Descriptor: | (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide, (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, ... | Authors: | Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-18 | Release date: | 2016-10-26 | Last modified: | 2016-11-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket. Cell Chem Biol, 23, 2016
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4AYW
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![BU of 4ayw by Molmil](/molmil-images/mine/4ayw) | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM) | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | Deposit date: | 2012-06-22 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States Proc.Natl.Acad.Sci.USA, 110, 2013
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1HV2
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![BU of 1hv2 by Molmil](/molmil-images/mine/1hv2) | SOLUTION STRUCTURE OF YEAST ELONGIN C IN COMPLEX WITH A VON HIPPEL-LINDAU PEPTIDE | Descriptor: | ELONGIN C, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR | Authors: | Botuyan, M.V, Mer, G, Yi, G.-S, Koth, C.M, Case, D.A, Edwards, A.M, Chazin, W.J, Arrowsmith, C.H. | Deposit date: | 2001-01-05 | Release date: | 2001-09-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of yeast elongin C in complex with a von Hippel-Lindau peptide. J.Mol.Biol., 312, 2001
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4AW6
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![BU of 4aw6 by Molmil](/molmil-images/mine/4aw6) | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 (FACE1) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CAAX PRENYL PROTEASE 1 HOMOLOG, ZINC ION | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | Deposit date: | 2012-05-31 | Release date: | 2012-07-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies. Science, 339, 2013
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1EIJ
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![BU of 1eij by Molmil](/molmil-images/mine/1eij) | NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615 | Descriptor: | HYPOTHETICAL PROTEIN MTH1615 | Authors: | Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-02-25 | Release date: | 2000-11-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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6XY7
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![BU of 6xy7 by Molmil](/molmil-images/mine/6xy7) | Human SHIP1 with magnesium and phosphate bound to the active site | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Bradshaw, W.J, Scacioc, A, Fernandez-Cid, A, Mckinley, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-29 | Release date: | 2020-02-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.086 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
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9BCZ
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![BU of 9bcz by Molmil](/molmil-images/mine/9bcz) | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-10 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine To be published
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6UPT
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![BU of 6upt by Molmil](/molmil-images/mine/6upt) | Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 | Descriptor: | 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-18 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 to be published
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6S4M
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![BU of 6s4m by Molmil](/molmil-images/mine/6s4m) | Crystal structure of the human organic anion transporter MFSD10 (TETRAN) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Major facilitator superfamily domain-containing protein 10 | Authors: | Pascoa, T.C, Pike, A.C.W, Bushell, S.R, Quigley, A, Chu, A, Mukhopadhyay, S.M.M, Shrestha, L, Venkaya, S, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human organic anion transporter TETRAN (MFSD10) To be published
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6MF9
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![BU of 6mf9 by Molmil](/molmil-images/mine/6mf9) | Crystal structure of CGD4-650 with compound BI2536 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ... | Authors: | Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-10 | Release date: | 2018-10-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.037 Å) | Cite: | Crystal structure of CGD4-650 with compound BI2536 to be published
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5LXD
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![BU of 5lxd by Molmil](/molmil-images/mine/5lxd) | Crystal structure of DYRK2 in complex with EHT 1610 (compound 2) | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-20 | Release date: | 2016-10-26 | Last modified: | 2017-01-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases. J. Med. Chem., 59, 2016
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6Y2D
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![BU of 6y2d by Molmil](/molmil-images/mine/6y2d) | Crystal structure of the second KH domain of FUBP1 | Descriptor: | Far upstream element-binding protein 1, GLYCEROL, SULFATE ION | Authors: | Ni, X, Chaikuad, A, Joerger, A.C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-15 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1. Sci Rep, 10, 2020
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6Y2C
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![BU of 6y2c by Molmil](/molmil-images/mine/6y2c) | Crystal structure of the third KH domain of FUBP1 | Descriptor: | 1,2-ETHANEDIOL, Far upstream element-binding protein 1, ZINC ION | Authors: | Ni, X, Joerger, A.C, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-15 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1. Sci Rep, 10, 2020
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5LWB
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![BU of 5lwb by Molmil](/molmil-images/mine/5lwb) | Crystal structure of human JARID1B in complex with S40650a | Descriptor: | 1,2-ETHANEDIOL, 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | Deposit date: | 2016-09-15 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of human JARID1B in complex with S40650a to be published
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