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5V62
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BU of 5v62 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP3
分子名称: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Lechtenberg, B.C, Riedl, S.J.
登録日2017-03-15
公開日2017-07-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
5V60
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BU of 5v60 by Molmil
Phospho-ERK2 bound to AMP-PCP
分子名称: GLYCEROL, MAGNESIUM ION, Mitogen-activated protein kinase 1, ...
著者Lechtenberg, B.C, Riedl, S.J.
登録日2017-03-15
公開日2017-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
3UF0
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BU of 3uf0 by Molmil
Crystal structure of a putative NAD(P) dependent gluconate 5-dehydrogenase from Beutenbergia cavernae(EFI target EFI-502044) with bound NADP (low occupancy)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
著者Vetting, M.W, Toro, R, Bhosle, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-10-31
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative NAD(P) dependent gluconate 5-dehydrogenase from Beutenbergia cavernae(EFI target EFI-502044) with bound NADP (low occupancy)
To be Published
5OPF
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BU of 5opf by Molmil
Structure of LPMO10B from from Micromonospora aurantiaca
分子名称: COPPER (II) ION, Chitin-binding domain 3 protein
著者Forsberg, Z, Bissaro, B, Gullesen, J, Dalhus, B, Vaaje-Kolstad, G, Eijsink, V.G.H.
登録日2017-08-09
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.081 Å)
主引用文献Structural determinants of bacterial lytic polysaccharide monooxygenase functionality.
J. Biol. Chem., 293, 2018
5TVQ
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BU of 5tvq by Molmil
Mouse Tdp2 catalytic domain bound to SUMO2
分子名称: ACETATE ION, CALCIUM ION, Small ubiquitin-related modifier 2, ...
著者Schellenberg, M.J, Williams, R.S.
登録日2016-11-09
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献ZATT (ZNF451)-mediated resolution of topoisomerase 2 DNA-protein cross-links.
Science, 357, 2017
5VA6
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BU of 5va6 by Molmil
CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26
分子名称: Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-24
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
5VAC
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BU of 5vac by Molmil
Crystal Structure of ATXR5 SET domain in complex with K36me3 histone H3 peptide
分子名称: DIMETHYL SULFOXIDE, Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, ...
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.F.
登録日2017-03-24
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
5NVD
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BU of 5nvd by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form
分子名称: CBS-CP12
著者Hackenberg, C, Hakanpaa, J, Eigner, C, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
登録日2017-05-04
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VAH
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BU of 5vah by Molmil
Crystal structure of ATXR5 SET domain in complex with histone H3 di-methylated on R26
分子名称: Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-26
公開日2017-04-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
5TVP
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BU of 5tvp by Molmil
SUMO2 bound to Mouse Tdp2 catalytic domain with a 5'-phosphorylated DNA ternary complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(P*CP*CP*GP*AP*AP*TP*TP*CP*G)-3'), ...
著者Schellenberg, M.J, Williams, R.S.
登録日2016-11-09
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献ZATT (ZNF451)-mediated resolution of topoisomerase 2 DNA-protein cross-links.
Science, 357, 2017
5VAB
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BU of 5vab by Molmil
Crystal structure of ATXR5 PHD domain in complex with histone H3
分子名称: ATXR5 PHD domain, Histone H3 peptide, ZINC ION
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-24
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
5VYB
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BU of 5vyb by Molmil
Structure of the carbohydrate recognition domain of Dectin-2 complexed with a mammalian-type high mannose Man9GlcNAc2 oligosaccharide
分子名称: C-type lectin domain family 6 member A, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Feinberg, H, Jegouzo, S.A.F, Rex, M.J, Drickamer, K, Taylor, M.E, Weis, W.I.
登録日2017-05-24
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of pathogen recognition by human dectin-2.
J. Biol. Chem., 292, 2017
3RRW
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BU of 3rrw by Molmil
Crystal structure of the TL29 protein from Arabidopsis thaliana
分子名称: CALCIUM ION, GLYCEROL, PHOSPHATE ION, ...
著者Lundberg, E, Storm, P, Schroder, W.P, Funk, C.
登録日2011-05-01
公開日2011-08-03
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the TL29 protein from Arabidopsis thaliana: An APX homolog without peroxidase activity.
J.Struct.Biol., 176, 2011
3S7D
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BU of 3s7d by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, Monomethylated p53 peptide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2011-09-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7F
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BU of 3s7f by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3TZX
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BU of 3tzx by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in tetragonal apo form at 2.3 A
分子名称: 12-mer peptide, GLYCEROL, Polyketide synthase PKS13, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
3R1F
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BU of 3r1f by Molmil
Crystal structure of a key regulator of virulence in Mycobacterium tuberculosis
分子名称: ESX-1 secretion-associated regulator EspR
著者Rosenberg, O.S, Dovey, C, Finer-Moore, J, Stroud, R.M, Cox, J.S.
登録日2011-03-10
公開日2011-08-03
最終更新日2011-08-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献EspR, a key regulator of Mycobacterium tuberculosis virulence, adopts a unique dimeric structure among helix-turn-helix proteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TZY
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BU of 3tzy by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the palmitoylated form at 2.2 A
分子名称: 12-mer peptide, GLYCEROL, PALMITIC ACID, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
3TZW
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BU of 3tzw by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the orthorhombic apoform at 2.6 A
分子名称: 1,2-ETHANEDIOL, 12-mer peptide, Polyketide synthase PKS13, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
3S7B
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BU of 3s7b by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7J
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BU of 3s7j by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3TZZ
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BU of 3tzz by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the carboxypalmitoylated form at 2.5 A
分子名称: 12-mer peptide, 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
1LGL
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BU of 1lgl by Molmil
Solution structure of HERG-specific scorpion toxin BeKm-1
分子名称: BeKm-1 toxin
著者Korolokova, Y.V, Bocharov, E.V, Angelo, K, Maslennikov, I.V, Grinenko, O.V, Lipkin, A.V, Nosireva, E.D, Pluzhnikov, K.A, Olesen, S.-P, Arseniev, A.S, Grishin, E.V.
登録日2002-04-16
公開日2002-11-20
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献New binding site on common molecular scaffold provides HERG channel specificity of scorpion toxin BeKm-1.
J.Biol.Chem., 277, 2002
2N7G
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BU of 2n7g by Molmil
Structure of the cyclic nucleotide-binding homology domain of the hERG channel
分子名称: Potassium voltage-gated channel subfamily H member 2
著者Li, Y, Ng, H, Li, Q, Kang, C.
登録日2015-09-10
公開日2016-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the Cyclic Nucleotide-Binding Homology Domain of the hERG Channel and Its Insight into Type 2 Long QT Syndrome
Sci Rep, 6, 2016
1J5J
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BU of 1j5j by Molmil
Solution structure of HERG-specific scorpion toxin BeKm-1
分子名称: BeKm-1 toxin
著者Korolokova, Y.V, Bocharov, E.V, Angelo, K, Maslennikov, I.V, Grinenko, O.V, Lipkin, A.V, Nosireva, E.D, Pluzhnikov, K.A, Olesen, S.-P, Arseniev, A.S, Grishin, E.V.
登録日2002-04-16
公開日2002-11-20
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献New binding site on common molecular scaffold provides HERG channel specificity of scorpion toxin BeKm-1.
J.Biol.Chem., 277, 2002

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