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2L12
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BU of 2l12 by Molmil
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
2L11
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BU of 2l11 by Molmil
Solution NMR structure of the Cbx3 in complex with H3K9me3 peptide
Descriptor: Chromobox protein homolog 3, Histone H3
Authors:Kaustov, L, Lemak, A, Fares, C, Gutmanas, A, 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
2L1B
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BU of 2l1b by Molmil
Solution NMR structure of the chromobox protein Cbx7 with H3K27me3
Descriptor: Chromobox protein homolog 7, Histone H3
Authors:Kaustov, L, Lemak, A, Fares, C, Gutmanas, A, Muhandiram, R, Quang, H, Loppnau, P, Min, J, Edwards, A, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2010-07-27
Release date:2010-08-25
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
2IGQ
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BU of 2igq by Molmil
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
6CBY
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BU of 6cby by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975
Descriptor: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
Authors:ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-02-05
Release date:2018-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
3MAV
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BU of 3mav by Molmil
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
5EGS
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BU of 5egs by Molmil
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
6AU2
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BU of 6au2 by Molmil
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
5E8R
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BU of 5e8r by Molmil
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
3I91
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BU of 3i91 by Molmil
Crystal structure of human chromobox homolog 8 (CBX8) with H3K9 peptide
Descriptor: Chromobox protein homolog 8, H3K9 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-07-10
Release date:2009-09-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3I90
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BU of 3i90 by Molmil
Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide
Descriptor: Chromobox protein homolog 6, H3K27 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-07-10
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3H91
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BU of 3h91 by Molmil
Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide
Descriptor: Chromobox protein homolog 2, H3K27 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-29
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3NY6
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BU of 3ny6 by Molmil
Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor V30
Descriptor: 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide, Cholix toxin, GLYCEROL, ...
Authors:Merrill, A.R, Jorgensen, R.
Deposit date:2010-07-14
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Newly discovered and characterized antivirulence compounds inhibit bacterial mono-ADP-ribosyltransferase toxins.
Antimicrob.Agents Chemother., 55, 2011
3FDT
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BU of 3fdt by Molmil
Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide
Descriptor: Chromobox protein homolog 5, H3K9(me)3 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-26
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3C0Z
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BU of 3c0z by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA
Descriptor: Histone deacetylase 7a, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ...
Authors:Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2008-01-21
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
3GV6
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BU of 3gv6 by Molmil
Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide
Descriptor: Chromobox protein homolog 6, Histone H3K9me3 peptide
Authors:Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-30
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3S8P
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BU of 3s8p by Molmil
Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 In Complex With S-Adenosyl-L-Methionine
Descriptor: Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-05-30
Release date:2011-07-06
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
3RQ4
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BU of 3rq4 by Molmil
Crystal structure of suppressor of variegation 4-20 homolog 2
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SUV420H2, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A, Zeng, H, Tempel, W, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-04-27
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
3HNA
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BU of 3hna by Molmil
Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and mono-Methylated H3K9 Peptide
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, Mono-Methylated H3K9 Peptide, ...
Authors:Min, J, Wu, H, Loppnau, P, Wleigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2009-05-30
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
4GI7
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BU of 4gi7 by Molmil
Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue
Descriptor: (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ...
Authors:Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2012-08-08
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.
Proteins, 81, 2013
3CEY
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BU of 3cey by Molmil
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
3F70
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BU of 3f70 by Molmil
Crystal structure of L3MBTL2-H4K20me1 complex
Descriptor: Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
Authors:Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-11-07
Release date:2009-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3PH7
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BU of 3ph7 by Molmil
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
7NIO
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BU of 7nio by Molmil
Crystal structure of the SARS-CoV-2 helicase APO form
Descriptor: SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-12
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NN0
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BU of 7nn0 by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-23
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021

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