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5WLE
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BU of 5wle by Molmil
Crystal structure of the PPS PHD finger in complex with H3K4me3
分子名称: H3K4me3 Peptide, Protein partner of snf, isoform A, ...
著者Klein, B.J, Kutateladze, T.G.
登録日2017-07-26
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献A Unique pH-Dependent Recognition of Methylated Histone H3K4 by PPS and DIDO.
Structure, 25, 2017
5WLF
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BU of 5wlf by Molmil
Crystal structure of the apo PPS PHD finger
分子名称: GLYCEROL, Protein partner of snf, isoform A, ...
著者Klein, B.J, Kutateladze, T.G.
登録日2017-07-26
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Unique pH-Dependent Recognition of Methylated Histone H3K4 by PPS and DIDO.
Structure, 25, 2017
1GUJ
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BU of 1guj by Molmil
Insulin at pH 2: structural analysis of the conditions promoting insulin fibre formation.
分子名称: INSULIN, SULFATE ION
著者Whittingham, J.L, Scott, D.J, Chance, K, Wilson, A, Finch, J, Brange, J, Dodson, G.G.
登録日2002-01-28
公開日2002-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Insulin at Ph2: Structural Analysis of the Conditions Promoting Insulin Fibre Formation
J.Mol.Biol., 318, 2002
6H8P
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BU of 6h8p by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer)
分子名称: CHLORIDE ION, GLYCEROL, Histone H1.4, ...
著者Chowdhury, R, Walport, L.J, Schofield, C.J.
登録日2018-08-03
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
6HU9
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BU of 6hu9 by Molmil
III2-IV2 mitochondrial respiratory supercomplex from S. cerevisiae
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ...
著者Hartley, A.M, Pinotsis, N, Marechal, A.
登録日2018-10-05
公開日2018-12-26
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structure of yeast cytochrome c oxidase in a supercomplex with cytochrome bc1.
Nat. Struct. Mol. Biol., 26, 2019
8J02
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BU of 8j02 by Molmil
Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state II
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Ma, D, Li, X, Guo, J.
登録日2023-04-09
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
8J01
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BU of 8j01 by Molmil
Human KCNQ2-CaM in complex with CBD and PIP2
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Ma, D, Li, X, Guo, J.
登録日2023-04-09
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
1GN4
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BU of 1gn4 by Molmil
H145E mutant of Mycobacterium tuberculosis iron-superoxide dismutase.
分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE
著者Bunting, K.A, Cooper, J.B, Badasso, M.O, Tickle, I.J, Newton, M, Wood, S.P, Zhang, Y, Young, D.B.
登録日2001-10-02
公開日2001-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineering a Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase from Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants
Eur.J.Biochem., 251, 1998
1GN2
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BU of 1gn2 by Molmil
S123C mutant of the iron-superoxide dismutase from Mycobacterium tuberculosis.
分子名称: FE (III) ION, SUPEROXIDE DISMUTASE
著者Bunting, K.A, Cooper, J.B, Tickle, I.J, Young, D.B.
登録日2001-10-02
公開日2001-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Engineering of an Intersubunit Disulfide Bridge in the Iron-Superoxide Dismutase of Mycobacterium Tuberculosis.
Arch.Biochem.Biophys., 397, 2002
1GN3
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BU of 1gn3 by Molmil
H145Q mutant of Mycobacterium tuberculosis iron-superoxide dismutase.
分子名称: FE (III) ION, SUPEROXIDE DISMUTASE
著者Bunting, K.A, Cooper, J.B, Badasso, M.O, Tickle, I.J, Newton, M, Wood, S.P, Zhang, Y, Young, D.B.
登録日2001-10-02
公開日2001-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Engineering a Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase from Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants.
Eur.J.Biochem., 251, 1998
6GWR
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BU of 6gwr by Molmil
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
分子名称: 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ...
著者Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-06-25
公開日2018-08-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
6M6A
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BU of 6m6a by Molmil
Cryo-EM structure of Thermus thermophilus Mfd in complex with RNA polymerase
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Shi, J, Wen, A, Feng, Y.
登録日2020-03-14
公開日2020-10-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
6FWL
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BU of 6fwl by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose)
分子名称: (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6FWP
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BU of 6fwp by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose
分子名称: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6G4Z
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BU of 6g4z by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f
分子名称: 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14
著者Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
6FWG
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BU of 6fwg by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment
分子名称: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6FWM
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BU of 6fwm by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme
分子名称: (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6FWQ
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BU of 6fwq by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose
分子名称: Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-07
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
分子名称: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
著者Wang, Z, Johnstone, S, Walker, N.P.
登録日2008-12-22
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
5USJ
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BU of 5usj by Molmil
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
登録日2017-02-13
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
6M6B
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BU of 6m6b by Molmil
Cryo-EM structure of Thermus thermophilus Mfd in complex with RNA polymerase and ATP-gamma-S
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Shi, J, Wen, A, Feng, Y.
登録日2020-03-14
公開日2020-10-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
5Y36
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BU of 5y36 by Molmil
Cryo-EM structure of SpCas9-sgRNA-DNA ternary complex
分子名称: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, complementary DNA strand, ...
著者Huang, Q, Li, G, Huai, C.
登録日2017-07-27
公開日2017-12-06
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Structural insights into DNA cleavage activation of CRISPR-Cas9 system
Nat Commun, 8, 2017
5Y87
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BU of 5y87 by Molmil
Structure-based Insights into Self-Cleavage by a Four-way Junctional Twister-Sister Ribozyme
分子名称: DNA/RNA (50-MER), MANGANESE (II) ION, RNA (5'-R(P*AP*CP*CP*CP*GP*CP*AP*AP*GP*GP*CP*CP*GP*AP*CP*GP*GP*C)-3')
著者Zheng, L, Micura, R.L, Ren, A.
登録日2017-08-19
公開日2017-11-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.132 Å)
主引用文献Structure-based insights into self-cleavage by a four-way junctional twister-sister ribozyme
Nat Commun, 8, 2017
6FWI
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BU of 6fwi by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine)
分子名称: (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
1G4P
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BU of 1g4p by Molmil
THIAMIN PHOSPHATE SYNTHASE
分子名称: 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE, MAGNESIUM ION, THIAMIN PHOSPHATE SYNTHASE
著者Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E.
登録日2000-10-27
公開日2001-09-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001

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