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8Q4S
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BU of 8q4s by Molmil
Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP4 and magnesium.
分子名称: (2S)-2-amino-4-phosphonobutanoic acid, GLYCEROL, MAGNESIUM ION, ...
著者Scaillet, T, Wouters, J.
登録日2023-08-07
公開日2024-08-21
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP4 and magnesium.
To Be Published
8QOB
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BU of 8qob by Molmil
Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP3 and magnesium
分子名称: (2~{R})-2-azanyl-3-phosphono-propanoic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Scaillet, T, Wouters, J.
登録日2023-09-28
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP3 and magnesium
To Be Published
2ON8
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BU of 2on8 by Molmil
Gbeta1 stabilization by in vitro evolution and computational design
分子名称: Immunoglobulin G-binding protein G
著者Max, K.E.A, Heinemann, U.
登録日2007-01-23
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Optimization of the gbeta1 domain by computational design and by in vitro evolution: structural and energetic basis of stabilization.
J.Mol.Biol., 373, 2007
2ONQ
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BU of 2onq by Molmil
Gbeta1 stabilization by in vitro evolution and computational design
分子名称: Immunoglobulin G-binding protein G
著者Max, K.E.A, Heinemann, U.
登録日2007-01-24
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of the gbeta1 domain by computational design and by in vitro evolution: structural and energetic basis of stabilization.
J.Mol.Biol., 373, 2007
4MML
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BU of 4mml by Molmil
D40A Hfq from Pseudomonas aeruginosa
分子名称: MAGNESIUM ION, Protein hfq, SULFATE ION, ...
著者Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D.
登録日2013-09-09
公開日2014-07-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability.
Biochemistry Mosc., 79, 2014
4MMK
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BU of 4mmk by Molmil
Q8A Hfq from Pseudomonas aeruginosa
分子名称: POTASSIUM ION, Protein hfq, SODIUM ION, ...
著者Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D.
登録日2013-09-09
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability.
Biochemistry Mosc., 79, 2014
9RCZ
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BU of 9rcz by Molmil
Structure of the N-terminal domain of non-structural protein 1 (Nsp1) from SARS-CoV-2
分子名称: ORF1a polyprotein
著者Lennartz, F, Weiss, M.S.
登録日2025-05-30
公開日2025-07-09
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallographic fragment screening against SARS-CoV-2 Nsp1 using the F2X-Entry Screen and a newly developed fragment library.
To Be Published
3NAX
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BU of 3nax by Molmil
PDK1 in complex with inhibitor MP7
分子名称: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
3NAY
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BU of 3nay by Molmil
PDK1 in complex with inhibitor MP6
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
5QBC
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BU of 5qbc by Molmil
Crystal structure of Endothiapepsin-FRG164 complex
分子名称: (1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBL
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BU of 5qbl by Molmil
Crystal structure of Endothiapepsin-NAT17-347147 complex
分子名称: (1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBB
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BU of 5qbb by Molmil
Crystal structure of Endothiapepsin-FRG140 complex
分子名称: 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBJ
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BU of 5qbj by Molmil
Crystal structure of Endothiapepsin-FRG283 complex
分子名称: 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBR
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BU of 5qbr by Molmil
Crystal structure of Endothiapepsin
分子名称: (3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB8
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BU of 5qb8 by Molmil
Crystal structure of Endothiapepsin-FRG080 complex
分子名称: (1S,2S,3S,4R,5R)-2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBP
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BU of 5qbp by Molmil
Crystal structure of Endothiapepsin-NAT17-347290a complex
分子名称: 1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.297 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBD
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BU of 5qbd by Molmil
Crystal structure of Endothiapepsin-FRG166 complex
分子名称: (1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBN
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BU of 5qbn by Molmil
Crystal structure of Endothiapepsin-NAT14-350193 complex
分子名称: 2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.403 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB7
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BU of 5qb7 by Molmil
Crystal structure of Endothiapepsin-FRG075 complex
分子名称: (3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBG
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BU of 5qbg by Molmil
Crystal structure of Endothiapepsin-FRG245 complex
分子名称: (6~{R})-1,4-oxazepan-6-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBQ
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BU of 5qbq by Molmil
Crystal structure of Endothiapepsin
分子名称: 4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QB9
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BU of 5qb9 by Molmil
Crystal structure of Endothiapepsin-FRG081 complex
分子名称: (1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, ACETATE ION, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBK
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BU of 5qbk by Molmil
Crystal structure of Endothiapepsin-NAT17-347144 complex
分子名称: (1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBA
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BU of 5qba by Molmil
Crystal structure of Endothiapepsin-FRG134 complex
分子名称: 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.338 Å)
主引用文献Crystal structure of Endothiapepsin
To be published
5QBM
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BU of 5qbm by Molmil
Crystal structure of Endothiapepsin-NAT17-347151 complex
分子名称: (1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huschmann, F.
登録日2017-08-04
公開日2020-04-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.569 Å)
主引用文献Crystal structure of Endothiapepsin
To be published

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件を2025-07-09に公開中

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