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4NW3
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BU of 4nw3 by Molmil
Crystal structure of MLL CXXC domain in complex with a CpG DNA
分子名称: 5'-D(*GP*CP*CP*AP*TP*CP*GP*AP*TP*GP*GP*C)-3', Histone-lysine N-methyltransferase 2A, ZINC ION
著者Bian, C, Tempel, W, Chao, X, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-05
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4O64
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BU of 4o64 by Molmil
Zinc fingers of KDM2B
分子名称: Lysine-specific demethylase 2B, UNKNOWN ATOM OR ION, ZINC ION
著者Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-20
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
4PZI
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BU of 4pzi by Molmil
Zinc finger region of MLL2 in complex with CpG DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ...
著者Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-03-31
公開日2014-06-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
2NZT
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BU of 2nzt by Molmil
Crystal structure of human hexokinase II
分子名称: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-2, UNKNOWN ATOM OR ION, ...
著者Rabeh, W.M, Zhu, H, Nedyalkova, L, Tempel, W, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-11-25
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The catalytic inactivation of the N-half of human hexokinase 2 and structural and biochemical characterization of its mitochondrial conformation.
Biosci.Rep., 38, 2018
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
著者Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3S6B
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BU of 3s6b by Molmil
Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150
分子名称: FE (III) ION, GLYCEROL, Methionine aminopeptidase
著者Wernimont, A.K, Artz, J.D, Crombet, L, Lew, J, Weadge, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2011-05-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150
To be Published
3LD6
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BU of 3ld6 by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole
分子名称: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ...
著者Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-01-12
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of human CYP51 inhibition by antifungal azoles.
J.Mol.Biol., 397, 2010
3NA0
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BU of 3na0 by Molmil
Crystal structure of human CYP11A1 in complex with 20,22-dihydroxycholesterol
分子名称: (3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol, Adrenodoxin, mitochondrial, ...
著者Strushkevich, N.V, MacKenzie, F, Tempel, W, Botchkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J.U, Park, H, Structural Genomics Consortium (SGC)
登録日2010-05-31
公開日2010-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NA1
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BU of 3na1 by Molmil
Crystal structure of human CYP11A1 in complex with 20-hydroxycholesterol
分子名称: (3alpha,8alpha)-cholest-5-ene-3,20-diol, Adrenodoxin, mitochondrial, ...
著者Strushkevich, N.V, MacKenzie, F, Tempel, W, Botchkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J.U, Park, H, Structural Genomics Consortium (SGC)
登録日2010-05-31
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
Proc.Natl.Acad.Sci.USA, 108, 2011
2I7P
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BU of 2i7p by Molmil
Crystal structure of human PANK3 in complex with AcCoA
分子名称: ACETYL COENZYME *A, Pantothenate kinase 3
著者Hong, B.S, Wang, L, Shen, L, Tempel, W, Loppnau, P, Finerty, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
登録日2006-08-31
公開日2006-12-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder.
J.Biol.Chem., 282, 2007
3P8H
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BU of 3p8h by Molmil
Crystal structure of L3MBTL1 (MBT repeat) in complex with a nicotinamide antagonist
分子名称: 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, GLYCEROL, Lethal(3)malignant brain tumor-like protein, ...
著者Lam, R, Herold, J.M, Ouyang, H, Tempel, W, Gao, C, Ravichandran, M, Senisterra, G, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Kireev, D, Frye, S.V, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2010-10-13
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Small-molecule ligands of methyl-lysine binding proteins.
J.Med.Chem., 54, 2011
3N9Z
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BU of 3n9z by Molmil
Crystal structure of human CYP11A1 in complex with 22-hydroxycholesterol
分子名称: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Adrenodoxin, Cholesterol side-chain cleavage enzyme, ...
著者Strushkevich, N.V, MacKenzie, F, Tempel, W, Botchkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J.U, Park, H, Structural Genomics Consortium (SGC)
登録日2010-05-31
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
Proc.Natl.Acad.Sci.USA, 108, 2011
3N9Y
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BU of 3n9y by Molmil
Crystal structure of human CYP11A1 in complex with cholesterol
分子名称: Adrenodoxin, CHOLESTEROL, Cholesterol side-chain cleavage enzyme, ...
著者Strushkevich, N.V, MacKenzie, F, Tempel, W, Botchkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J.U, Park, H, Structural Genomics Consortium (SGC)
登録日2010-05-31
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
Proc.Natl.Acad.Sci.USA, 108, 2011
3RQ4
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BU of 3rq4 by Molmil
Crystal structure of suppressor of variegation 4-20 homolog 2
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SUV420H2, S-ADENOSYLMETHIONINE, ...
著者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)
登録日2011-04-27
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
4FDH
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BU of 4fdh by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole
分子名称: 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B2, mitochondrial, ...
著者Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
登録日2012-05-28
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
4DVQ
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BU of 4dvq by Molmil
Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone
分子名称: Cytochrome P450 11B2, mitochondrial, DESOXYCORTICOSTERONE, ...
著者Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W.
登録日2012-02-23
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
4FU6
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BU of 4fu6 by Molmil
Crystal structure of the PSIP1 PWWP domain
分子名称: GLYCEROL, PC4 and SFRS1-interacting protein, SULFATE ION, ...
著者Qin, S, Tempel, W, Xu, C, Wu, H, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-06-28
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and function of the nucleosome-binding PWWP domain.
Trends Biochem.Sci., 39, 2014
4I79
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BU of 4i79 by Molmil
Crystal structure of human NUP43
分子名称: Nucleoporin Nup43, UNKNOWN ATOM OR ION, floating chain, ...
著者Xu, C, Tempel, W, Li, Z, He, H, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-11-30
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of human nuclear pore complex component NUP43.
Febs Lett., 589, 2015
4IA9
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BU of 4ia9 by Molmil
Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
分子名称: 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
著者Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-06
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.
ACS Med Chem Lett, 4, 2013
4HSG
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BU of 4hsg by Molmil
Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD)
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION
著者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)
登録日2012-10-30
公開日2012-12-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013

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