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4CVD
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BU of 4cvd by Molmil
Crystal structure of the central repeat of cell wall binding module of Cpl7
分子名称: LYSOZYME
著者Silva-Martin, N, Uson, I, Rodriguez, D.D, Hermoso, J.A.
登録日2014-03-25
公開日2015-04-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.666 Å)
主引用文献Deciphering how Cpl-7 cell wall-binding repeats recognize the bacterial peptidoglycan.
Sci Rep, 7, 2017
2V05
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BU of 2v05 by Molmil
CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE. CRYSTAL FORM II.
分子名称: CHOLINE BINDING PROTEIN F, CHOLINE ION
著者Hermoso, J, Molina, R, Kahn, R, Stelter, M.
登録日2007-05-08
公開日2008-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal Structure of the Choline Binding Protein F from Streptococcus Pneumoniae
To be Published
2V04
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BU of 2v04 by Molmil
CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE
分子名称: CHOLINE BINDING PROTEIN F, CHOLINE ION
著者Hermoso, J, Molina, R, Kahn, R, Stelter, M.
登録日2007-05-08
公開日2008-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Cbpf, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus Pneumoniae.
Embo Rep., 10, 2009
5IIS
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BU of 5iis by Molmil
Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold
分子名称: 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1
著者Bellamacina, C, Bussiere, D, Burger, M.
登録日2016-03-01
公開日2016-04-06
最終更新日2016-05-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold.
Bioorg.Med.Chem.Lett., 26, 2016
8B4U
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BU of 8b4u by Molmil
The crystal structure of PET46, a PETase enzyme from Candidatus bathyarchaeota
分子名称: 1,2-ETHANEDIOL, Alpha/beta hydrolase, CHLORIDE ION, ...
著者Costanzi, E, Applegate, V, Schumacher, J, Smits, S.H.J.
登録日2022-09-21
公開日2023-08-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate.
Commun Chem, 6, 2023
6HRG
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BU of 6hrg by Molmil
Structure of Igni18, a novel metallo hydrolase from the hyperthermophilic archaeon Ignicoccus hospitalis KIN4/I
分子名称: PHOSPHATE ION, POTASSIUM ION, UPF0173 metal-dependent hydrolase Igni_1254, ...
著者Smits, S.H, Streit, W.R, Jaeger, K.E, Hoeppner, A.
登録日2018-09-26
公開日2019-10-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A promiscuous ancestral enzyme ́s structure unveils protein variable regions of the highly diverse metallo-beta-lactamase family.
Commun Biol, 4, 2021
8A2C
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BU of 8a2c by Molmil
The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Costanzi, E, Applegate, V, Port, A, Smits, S.H.J.
登録日2022-06-03
公開日2023-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The metagenome-derived esterase PET40 hydrolyses polyethylene terephthalate (PET) and is well conserved in the GC-rich gram-positives Amycolatopsis and Streptomyces
To Be Published
6CCY
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BU of 6ccy by Molmil
Crystal structure of Akt1 in complex with a selective inhibitor
分子名称: (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide
著者Wang, Y, Stout, S.
登録日2018-02-07
公開日2018-05-02
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
2X8P
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BU of 2x8p by Molmil
Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization
分子名称: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CHOLINE ION, CHOLINE-BINDING PROTEIN F, ...
著者Silva-Martin, N, Hermoso, J.A.
登録日2010-03-10
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structures of Cbpf Complexed with Atropine and Ipratropium Reveal Clues for the Design of Novel Antimicrobials Against Streptococcus Pneumoniae.
Biochim.Biophys.Acta, 1840, 2013
2X8M
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BU of 2x8m by Molmil
Crystal Structure of CbpF in complex with ipratropium by soaking
分子名称: CHOLINE ION, CHOLINE-BINDING PROTEIN F, GLYCEROL, ...
著者Silva-Martin, N, Hermoso, J.A.
登録日2010-03-10
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Cbpf Complexed with Atropine and Ipratropium Reveal Clues for the Design of Novel Antimicrobials Against Streptococcus Pneumoniae.
Biochim.Biophys.Acta, 1840, 2013
5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
分子名称: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
登録日2016-08-17
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
6EXZ
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BU of 6exz by Molmil
Crystal structure of Mex67 C-term
分子名称: FORMIC ACID, mRNA export factor MEX67
著者Mohamad, N, Bravo, J.
登録日2017-11-10
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mip6 binds directly to the Mex67 UBA domain to maintain low levels of Msn2/4 stress-dependent mRNAs.
Embo Rep., 2019
2JTO
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BU of 2jto by Molmil
Solution Structure of Tick Carboxypeptidase Inhibitor
分子名称: Carboxypeptidase inhibitor
著者Pantoja-Uceda, D, Blanco, F.J.
登録日2007-08-03
公開日2008-07-15
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献The NMR structure and dynamics of the two-domain tick carboxypeptidase inhibitor reveal flexibility in its free form and stiffness upon binding to human carboxypeptidase B.
Biochemistry, 47, 2008
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