7MTY
 
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988569 | | Descriptor: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-05-13 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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7N47
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514 | | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-06-03 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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7N55
 | | The crystal structure of the mutant I38T PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514 | | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-06-04 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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7N8F
 | | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288 | | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-06-14 | | Release date: | 2022-06-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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6WJ7
 | | The structure of NTMT1 in complex with compound C2A | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, GLY-PRO-LYS-ARG-ILE-ALA-NH2, N-terminal Xaa-Pro-Lys N-methyltransferase 1 | | Authors: | Srinivasan, K, Chen, D, Huang, R, Noinaj, N. | | Deposit date: | 2020-04-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.
J.Med.Chem., 63, 2020
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7MPF
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000986436 | | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-05-04 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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6BG5
 | | Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1 | | Descriptor: | Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | Deposit date: | 2017-10-27 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
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4HC4
 | | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein arginine N-methyltransferase 6, ... | | Authors: | Dong, A, Zeng, H, He, H, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-09-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
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7KOP
 | | The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539 | | Descriptor: | 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Seetharaman, J, White, S.W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539
To Be Published
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6BG3
 | | Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1 | | Descriptor: | Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea | | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | Deposit date: | 2017-10-27 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
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6D2L
 | | Crystal structure of human CARM1 with (S)-SKI-72 | | Descriptor: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-04-13 | | Release date: | 2018-05-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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3MP6
 | | Complex Structure of Sgf29 and dimethylated H3K4 | | Descriptor: | H3K4me2 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Li, J, Wu, M, Ruan, J, Zang, J. | | Deposit date: | 2010-04-25 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
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3MP1
 | | Complex structure of Sgf29 and trimethylated H3K4 | | Descriptor: | ACETATE ION, H3K4me3 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, ... | | Authors: | Li, J, Ruan, J, Wu, M, Xue, X, Zang, J. | | Deposit date: | 2010-04-24 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
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7FEO
 | | Crystal structure of AtMBD5 MBD domain | | Descriptor: | Methyl-CpG-binding domain-containing protein 5, SULFATE ION | | Authors: | Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-21 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
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7FEF
 | | Crystal structure of AtMBD6 with DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6 | | Authors: | Wu, Z.B, Liu, K, Min, J.R. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
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3MP8
 | | Crystal structure of Sgf29 tudor domain | | Descriptor: | 4-(HYDROXYMETHYL)BENZAMIDINE, ACETIC ACID, GLYCEROL, ... | | Authors: | Li, J, Wu, M, Ruan, J, Zang, J. | | Deposit date: | 2010-04-26 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
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2H9M
 | | WDR5 in complex with unmodified H3K4 peptide | | Descriptor: | H3 histone, WD-repeat protein 5 | | Authors: | Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-10 | | Release date: | 2006-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
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2H9N
 | | WDR5 in complex with monomethylated H3K4 peptide | | Descriptor: | H3 histone, WD-repeat protein 5 | | Authors: | Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-10 | | Release date: | 2006-08-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
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2H00
 | | Human methyltransferase 10 domain containing protein | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Min, J.R, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-12 | | Release date: | 2006-06-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human methyltransferase 10 domain containing protein.
To be Published
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6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | 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: | 2017-10-11 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
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2H9L
 | | WDR5delta23 | | Descriptor: | SULFATE ION, WD-repeat protein 5 | | Authors: | Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-10 | | Release date: | 2006-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
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2H9P
 | | WDR5 in complex with trimethylated H3K4 peptide | | Descriptor: | H3 histone, WD-repeat protein 5 | | Authors: | Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-10 | | Release date: | 2006-08-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
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5YBJ
 | | Structure of apo KANK1 ankyrin domain | | Descriptor: | GLYCEROL, KN motif and ankyrin repeat domain-containing protein 1 | | Authors: | Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-09-05 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.341 Å) | | Cite: | Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
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5YBV
 | | The structure of the KANK2 ankyrin domain with the KIF21A peptide | | Descriptor: | GLYCEROL, KN motif and ankyrin repeat domain-containing protein 2, Kinesin-like protein KIF21A, ... | | Authors: | Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-09-05 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
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5YBU
 | | Structure of the KANK1 ankyrin domain in complex with KIF21A peptide | | Descriptor: | KN motif and ankyrin repeat domain-containing protein 1, Kinesin-like protein KIF21A | | Authors: | Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-09-05 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
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