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6HQY
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BU of 6hqy by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051
分子名称: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-09-25
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSF
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BU of 6hsf by Molmil
Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051
分子名称: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-01
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HT8
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BU of 6ht8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
分子名称: 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-10-03
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSK
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BU of 6hsk by Molmil
Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat
分子名称: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C.
登録日2018-10-01
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSZ
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BU of 6hsz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2
分子名称: 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-10-02
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.374 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
7PO7
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BU of 7po7 by Molmil
Phosphoglycolate phosphatase from Mus musculus
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Schloetzer, J, Schindelin, H, Fratz, S.
登録日2021-09-08
公開日2022-12-21
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
7POE
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BU of 7poe by Molmil
Phosphoglycolate Phosphatase with Inhibitor CP1
分子名称: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ...
著者Schloetzer, J, Fratz, S, Schindelin, H.
登録日2021-09-08
公開日2022-12-21
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
3LC3
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BU of 3lc3 by Molmil
Benzothiophene Inhibitors of Factor IXa
分子名称: 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX
著者Wang, S, Beck, R.
登録日2010-01-09
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis.
J.Med.Chem., 53, 2010
3IFD
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BU of 3ifd by Molmil
Human synthetic monocyte chemoattractant protein 1 (MCP-1)
分子名称: C-C motif chemokine 2, PHOSPHATE ION, POTASSIUM ION
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2009-07-24
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis by native chemical ligation and crystal structure of human CCL2.
Biopolymers, 94, 2010
4N5H
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BU of 4n5h by Molmil
Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001)
分子名称: CALCIUM ION, CHLORIDE ION, Esterase/lipase, ...
著者Bennett, M.D, Holland, R, Loo, T.S, Smith, C.A, Norris, G.E, Delabre, M.-L, Anderson, B.F.
登録日2013-10-09
公開日2014-10-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001)
TO BE PUBLISHED
7JJC
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BU of 7jjc by Molmil
Crystal structure of neuropilin-1 b1 domain in complex with SARS-CoV-2 S1 C-end rule (CendR) peptide
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Neuropilin-1, ...
著者Chen, K.-E, Collins, B.M.
登録日2020-07-25
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Neuropilin-1 is a host factor for SARS-CoV-2 infection.
Science, 370, 2020
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