6AU3
 
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
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4EQZ
 | | Crystal structure of human DOT1L in complex with inhibitor FED2 | | Descriptor: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-04-19 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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4ER0
 | | Crystal Structure of human DOT1L in complex with inhibitor FED1 | | Descriptor: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-04-19 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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4ER7
 | | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-04-19 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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3MA6
 | | Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1 | | Descriptor: | 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | | Authors: | Wernimont, A.K, Qiu, W, Amani, M, Artz, J.D, Hassani, A.A, Senisterra, G, Vedadi, M, Sibley, L.D, Lourido, S, Shokat, K, Zhang, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-23 | | Release date: | 2010-07-21 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1
To be Published
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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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3KU2
 | | Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440 | | Descriptor: | Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION | | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-26 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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2QER
 | | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro | | Descriptor: | ALANINE, Cyclophilin-like protein, putative, ... | | Authors: | Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-26 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro.
To be Published
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2QG5
 | | Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 | | Descriptor: | Calcium/calmodulin-dependent protein kinase | | Authors: | Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Artz, J, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-28 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cryptosporidium parvum calcium dependent protein kinase cgd7_1840
To be Published
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2WEI
 | | Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1 | | Descriptor: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | | Authors: | Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R. | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
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3JWP
 | | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ... | | Authors: | Wernimont, A.K, Hutchinson, A, Lin, Y.H, MacKenzie, F, Senisterra, G, Allali-Hassanali, A, Vedadi, M, Ravichandran, M, Cossar, D, Kozieradzki, I, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-18 | | Release date: | 2009-10-20 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
TO BE PUBLISHED
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3UR4
 | | Crystal structure of human WD repeat domain 5 with compound | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-21 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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3UWP
 | | Crystal structure of Dot1l in complex with 5-iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-02 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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2QG8
 | | Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Acyl Carrier Protein Synthase PY06285, MAGNESIUM ION | | Authors: | Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Brokx, S, Altamentova, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-28 | | Release date: | 2007-07-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound
TO BE PUBLISHED
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2QG7
 | | Plasmodium vivax ethanolamine kinase Pv091845 | | Descriptor: | SULFATE ION, ethanolamine kinase Pv091845 | | Authors: | Lunin, V.V, Wernimont, A.K, Mulichak, A, Lew, J, Wasney, G, Senisterra, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Artz, J, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-28 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Plasmodium vivax ethanolamine kinase Pv091845
TO BE PUBLISHED
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2QNR
 | | Human septin 2 in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Septin-2, UNKNOWN ATOM OR ION | | Authors: | Rabeh, W.M, Nedyalkova, L, Tempel, W, Landry, R, Crombet, L, Kozieradzki, I, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-19 | | Release date: | 2007-07-31 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human septin 2 in complex with GDP.
To be Published
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3IGO
 | | Crystal structure of Cryptosporidium parvum CDPK1, cgd3_920 | | Descriptor: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Amani, M, Allali-Hassanali, A, Vedadi, M, Tempel, W, MacKenzie, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-28 | | Release date: | 2009-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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5VAC
 | | Crystal Structure of ATXR5 SET domain in complex with K36me3 histone H3 peptide | | Descriptor: | DIMETHYL SULFOXIDE, Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, ... | | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.F. | | Deposit date: | 2017-03-24 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
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3HKO
 | | Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40 | | Descriptor: | Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Wernimont, A.K, Hutchinson, A, Wasney, G, Vedadi, M, MacKenzie, F, Kozieradzki, I, Cossar, D, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-25 | | Release date: | 2009-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
To be Published
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3E95
 | | Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a | | Descriptor: | UNKNOWN ATOM OR ION, Ubiquitin carrier protein, Ubiquitin-conjugating enzyme E2 | | Authors: | Wernimont, A.K, Lam, A, Ali, A, Brokx, S, Lin, Y.H, Zhao, Y, Lew, J, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, BOuntra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Qiu, W, Brand, V.B, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-08-21 | | Release date: | 2008-09-30 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a
TO BE PUBLISHED
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5VA6
 | | CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26 | | Descriptor: | Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | | Deposit date: | 2017-03-24 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
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3HZT
 | | Crystal structure of Toxoplasma gondii CDPK3, TGME49_105860 | | Descriptor: | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-dependent protein kinase 3, GLYCEROL, ... | | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Wasney, G, Allali-Hassani, A, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-24 | | Release date: | 2009-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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5VAH
 | | Crystal structure of ATXR5 SET domain in complex with histone H3 di-methylated on R26 | | Descriptor: | Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | | Deposit date: | 2017-03-26 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
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5VAB
 | | Crystal structure of ATXR5 PHD domain in complex with histone H3 | | Descriptor: | ATXR5 PHD domain, Histone H3 peptide, ZINC ION | | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | | Deposit date: | 2017-03-24 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
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3Q5I
 | | Crystal Structure of PBANKA_031420 | | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Panico, E, Crombet, L, Cossar, D, Hassani, A, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-12-28 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of CDPK1 from Plasmodium Bergheii, PBANKA_031420
To be Published
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