3BO7
| Crystal structure of Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, 541.m00136 | Descriptor: | 1,2-ETHANEDIOL, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE CYCLOPHILIN-TYPE, ... | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-17 | Release date: | 2008-02-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of Toxoplasma Gondii Peptidyl-Prolyl Cis-Trans Isomerase, 541.M00136. To be Published
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3CC9
| Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Putative farnesyl pyrophosphate synthase, SODIUM ION | Authors: | Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-25 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate. To be Published
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3FB3
| Crystal Structure of Trypanosoma Brucei Acetyltransferase, Tb11.01.2886 | Descriptor: | N-acetyltransferase | Authors: | Wernimont, A.K, Marino, K, Zhang, A.Z, Ma, D, Lin, Y.H, MacKenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-18 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of Trypanosoma Brucei Acetyltransferase, Tb11.01.2886 TO BE PUBLISHED
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3EZ3
| Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | Authors: | Wernimont, A.K, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-22 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Crystal Structure of Plasmodium vivax geranylgeranylpyrophosphate synthase PVX_092040 with zoledronate and IPP bound TO BE PUBLISHED
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3F9R
| Crystal Structure of Trypanosoma Brucei phosphomannosemutase, TB.10.700.370 | Descriptor: | MAGNESIUM ION, Phosphomannomutase, SULFATE ION | Authors: | Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Guther, L, Shamshad, A, MacKenzie, F, Bandini, G, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-14 | Release date: | 2009-03-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Trypanosoma Brucei phosphomannosemutase, TB.10.700.370 To be Published
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3H80
| Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ... | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-28 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 To be Published
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3HJC
| Crystal structure of the carboxy-terminal domain of HSP90 from Leishmania major, LmjF33.0312 | Descriptor: | Heat shock protein 83-1, SULFATE ION | Authors: | Wernimont, A.K, Tempel, W, Walker, J, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-21 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the middle and carboxy-terminal domain of HSP90 from Leishmania major, LMJF33.0312 To be Published
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5QT1
| PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOMB000017a | Descriptor: | 1,2-ETHANEDIOL, 1-(4-amino-2-hydroxyphenyl)ethan-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Harding, R.J, Tempel, W, DOUANGAMATH, A, BRANDAO-NETO, J, Collins, P.M, Krojer, T, Mader, P, Schapira, M, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V. | Deposit date: | 2019-06-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QT2
| PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOPL000074a | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, DIMETHYL SULFOXIDE, ... | Authors: | Harding, R.J, Tempel, W, DOUANGAMATH, A, BRANDAO-NETO, J, Collins, P.M, Krojer, T, Mader, P, Schapira, M, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V. | Deposit date: | 2019-06-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PanDDA analysis group deposition To Be Published
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8BWU
| Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | Deposit date: | 2022-12-07 | Release date: | 2023-10-11 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes Digit Discov, 2024
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3CEY
| Crystal structure of L3MBTL2 | Descriptor: | Lethal(3)malignant brain tumor-like 2 protein | Authors: | Nady, N, Guo, Y, Pan, P, Allali-Hassani, A, Qi, C, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Bochkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-29 | Release date: | 2008-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2. Nucleic Acids Res., 37, 2009
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4MI0
| Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2) | Descriptor: | Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-30 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations. Plos One, 8, 2013
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5U4X
| Coactivator-associated arginine methyltransferase 1 with TP-064 | Descriptor: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-06 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma. Oncotarget, 9, 2018
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6XCG
| Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934 | Descriptor: | Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION | Authors: | Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-08 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization. Nat.Chem.Biol., 18, 2022
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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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6W6D
| Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor | Descriptor: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-16 | Release date: | 2020-04-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J.Med.Chem., 64, 2021
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6NM4
| Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | Descriptor: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | Authors: | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-10 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of a chemical probe for PRDM9. Nat Commun, 10, 2019
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7UFV
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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5EGS
| Human PRMT6 with bound fragment-type inhibitor | Descriptor: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Steuber, H, Egner, U, Kania, J, Wu, H, Brown, P.J. | Deposit date: | 2015-10-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor. J.Med.Chem., 59, 2016
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3MAV
| Crystal structure of Plasmodium vivax putative farnesyl pyrophosphate synthase (Pv092040) | Descriptor: | Farnesyl pyrophosphate synthase, SULFATE ION | Authors: | Dong, A, Dunford, J, Lew, J, Wernimont, A.K, Ren, H, Zhao, Y, Koeieradzki, I, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-24 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites. J.Biol.Chem., 286, 2011
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3PH7
| Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate | Descriptor: | Farnesyl pyrophosphate synthase, GERANYLGERANYL DIPHOSPHATE | Authors: | Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites. J.Biol.Chem., 286, 2011
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6X9O
| High resolution cryoEM structure of huntingtin in complex with HAP40 | Descriptor: | 40-kDa huntingtin-associated protein, Huntingtin | Authors: | Harding, R.J, Deme, J.C, Lea, S.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-03 | Release date: | 2020-06-17 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1. Commun Biol, 4, 2021
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5E8R
| Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | Authors: | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-14 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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2IGQ
| Human euchromatic histone methyltransferase 1 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, euchromatic histone methyltransferase 1 | Authors: | Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-09-23 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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2L12
| Solution NMR structure of the chromobox protein 7 with H3K9me3 | Descriptor: | Chromobox homolog 7, Histone H3 | Authors: | Kaustov, L, Lemak, A, Gutmanas, A, Fares, C, Quang, H, Loppnau, P, Min, J, Edwards, A, Arrowsmith, C, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-22 | Release date: | 2010-08-04 | Last modified: | 2020-02-05 | Method: | SOLUTION NMR | Cite: | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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