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2XXZ
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BU of 2xxz by Molmil
Crystal structure of the human JMJD3 jumonji domain
分子名称: 1,2-ETHANEDIOL, 8-hydroxyquinoline-5-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Che, K.H, Yue, W.W, Krojer, T, Muniz, J.R.C, Ng, S.S, Tumber, A, Daniel, M, Burgess-Brown, N, Savitsky, P, Ugochukwu, E, Filippakopoulos, P, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2010-11-12
公開日2010-11-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Human Jmjd3 Jumonji Domain
To be Published
2XDP
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BU of 2xdp by Molmil
Crystal structure of the tudor domain of human JMJD2C
分子名称: LYSINE-SPECIFIC DEMETHYLASE 4C, SULFATE ION
著者Yue, W.W, Gileadi, C, Krojer, T, Weisbach, H, Ugochukwu, E, Daniel, M, Phillips, C, Chaikuad, A, von Delft, F, Allerston, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2010-05-06
公開日2010-06-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of the Tudor Domain of Human Jmjd2C
To be Published
1W6V
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BU of 1w6v by Molmil
Solution structure of the DUSP domain of hUSP15
分子名称: UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 15
著者De Jong, R.D, Ab, E, Diercks, T, Truffault, V, Daniels, M, Kaptein, R, Folkers, G.E.
登録日2004-08-24
公開日2006-01-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the Human Ubiquitin-Specific Protease 15 Dusp Domain.
J.Biol.Chem., 281, 2006
2CKA
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BU of 2cka by Molmil
Solution structures of the BRK domains of the human Chromo Helicase Domain 7 and 8, reveals structural similarity with GYF domain suggesting a role in protein interaction
分子名称: CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 8
著者Ab, E, de Jong, R.N, Diercks, T, Xiaoyun, J, Daniels, M, Kaptein, R, Folkers, G.E.
登録日2006-04-14
公開日2007-05-08
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution Structures of the Brk Domains of the Human Chromo Helicase Domain 7 and 8, Reveals Structural Similarity with Gyf Domain Suggesting a Role in Protein Interaction
To be Published
2CKC
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BU of 2ckc by Molmil
Solution structures of the BRK domains of the human Chromo Helicase Domain 7 and 8, reveals structural similarity with GYF domain suggesting a role in protein interaction
分子名称: CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 7
著者Ab, E, de Jong, R.N, Diercks, T, Xiaoyun, J, Daniels, M, Kaptein, R, Folkers, G.E.
登録日2006-04-14
公開日2007-05-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structures of the Brk Domains of the Human Chromo Helicase Domain 7 and 8, Reveals Structural Similarity with Gyf Domain Suggesting a Role in Protein Interaction
To be Published
4URA
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BU of 4ura by Molmil
Crystal structure of human JMJD2A in complex with compound 14a
分子名称: 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2014-06-27
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
6EPA
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BU of 6epa by Molmil
Structure of dNCS-1 bound to the NCS-1/Ric8a protein/protein interaction regulator IGS-1.76
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, FI18190p1, ...
著者Sanchez-Barrena, M.J, Daniel, M, Infantes, L.
登録日2017-10-11
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.
J. Med. Chem., 61, 2018
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
著者Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2010-05-07
公開日2010-05-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4AI8
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BU of 4ai8 by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE
分子名称: DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
著者King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A.
登録日2012-02-08
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
4AI9
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BU of 4ai9 by Molmil
JMJD2A Complexed with Daminozide
分子名称: CHLORIDE ION, DAMINOZIDE, GLYCEROL, ...
著者Chowdhury, R, Schofield, C.J.
登録日2012-02-08
公開日2012-10-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
1I8O
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BU of 1i8o by Molmil
RHODOPSEUDOMONAS PALUSTRIS CYT C2 AMMONIA COMPLEX AT 1.15 ANGSTROM RESOLUTION
分子名称: AMMONIA, CYTOCHROME C2, HEME C, ...
著者Garau, G, Geremia, S.
登録日2001-03-15
公開日2001-04-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
1BMC
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BU of 1bmc by Molmil
STRUCTURE OF A ZINC METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS
分子名称: METALLO-BETA-LACTAMASE, ZINC ION
著者Carfi, A, Pares, S, Duee, E, Dideberg, O.
登録日1995-06-16
公開日1996-08-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The 3-D structure of a zinc metallo-beta-lactamase from Bacillus cereus reveals a new type of protein fold.
EMBO J., 14, 1995
1FJ0
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BU of 1fj0 by Molmil
STRUCTURE DETERMINATION OF THE FERRICYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS
分子名称: CYTOCHROME C2, GLYCEROL, HEME C, ...
著者Geremia, S.
登録日2000-08-07
公開日2002-01-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cleavage of the iron-methionine bond in c-type cytochromes: Crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
4DO0
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BU of 4do0 by Molmil
Crystal Structure of human PHF8 in complex with Daminozide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DAMINOZIDE, ...
著者Krojer, T, Daniel, M, Ng, S.S, Walport, L.J, Chowdhury, R, Arrowsmith, C.H, Edwards, A, Bountra, C, Kawamura, A, Muller-Knapp, S, McDonough, M.A, von Delft, F, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2012-02-09
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献

7VDQ
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BU of 7vdq by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7
分子名称: 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDS
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BU of 7vds by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24
分子名称: 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDR
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BU of 7vdr by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13
分子名称: (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDP
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BU of 7vdp by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDU
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BU of 7vdu by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1
分子名称: Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
1HH7
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BU of 1hh7 by Molmil
REFINED CRYSTAL STRUCTURE OF CYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS AT 1.4 ANGSTROM RESOLUTION
分子名称: AMMONIA, CYTOCHROME C2, HEME C, ...
著者Garau, G, Geremia, S.
登録日2000-12-21
公開日2001-01-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallization and Preliminary X-Ray Analysis of Two Ph-Dependent Forms of Cytochrome C2 from Rhodopseudomonas Palustris
Acta Crystallogr.,Sect.D, 56, 2000
6UCG
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BU of 6ucg by Molmil
Retinoic acid receptor-related orphan receptor (ROR) gamma in complex with allosteric compound 28
分子名称: (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid, Nuclear receptor ROR-gamma
著者Palte, R.L, Parthasarathy, G.
登録日2019-09-16
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Discovery ofN-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR gamma t Allosteric Inhibitors for Autoimmune Diseases.
Acs Med.Chem.Lett., 11, 2020

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