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2C1E
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BU of 2c1e by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
分子名称: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ...
著者Grutter, M.G.
登録日2005-09-14
公開日2006-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
6U6U
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BU of 6u6u by Molmil
IL36R extracellular domain in complex with BI655130 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BI00655130 Fab heavy chain, ...
著者Larson, E.T, Farrow, N.A.
登録日2019-08-30
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献X-ray crystal structure localizes the mechanism of inhibition of an IL-36R antagonist monoclonal antibody to interaction with Ig1 and Ig2 extra cellular domains.
Protein Sci., 29, 2020
2CCM
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BU of 2ccm by Molmil
X-ray structure of Calexcitin from Loligo pealeii at 1.8A
分子名称: CALCIUM ION, CALEXCITIN
著者Erskine, P.T, Beaven, G.D.E, Wood, S.P, Fox, G, Vernon, J, Giese, K.P, Cooper, J.B.
登録日2006-01-16
公開日2006-01-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Neuronal Protein Calexcitin Suggests a Mode of Interaction in Signalling Pathways of Learning and Memory.
J.Mol.Biol., 357, 2006
5WDO
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BU of 5wdo by Molmil
H-Ras bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5WDQ
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BU of 5wdq by Molmil
H-Ras mutant L120A bound to GMP-PNP at 100K
分子名称: ACETATE ION, CALCIUM ION, GTPase HRas, ...
著者Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
3EER
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BU of 3eer by Molmil
High resolution structure of putative organic hydroperoxide resistance protein from Vibrio cholerae O1 biovar eltor str. N16961
分子名称: ACETATE ION, IMIDAZOLE, Organic hydroperoxide resistance protein, ...
著者Nocek, B, Maltseva, N, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2008-09-05
公開日2008-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High resolution crystal structure of the organic hydroperoxide resistance protein from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
5WDS
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BU of 5wds by Molmil
Choanoflagellate Salpingoeca rosetta Ras with GDP bound
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Kondo, Y, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5WDP
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BU of 5wdp by Molmil
H-Ras mutant L120A bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5WDR
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BU of 5wdr by Molmil
Choanoflagellate Salpingoeca rosetta Ras with GMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras protein, ...
著者Kondo, Y, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
4ZIL
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BU of 4zil by Molmil
Crystal structure of Rv2466c and oxidoreductase from Mycobacterium tuberculosis in its reduced state
分子名称: DSBA oxidoreductase, MAGNESIUM ION
著者Albesa-Jove, D, Urresti, S, Comino, N, Tersa, M, Guerin, M.E.
登録日2015-04-28
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.507 Å)
主引用文献The Redox State Regulates the Conformation of Rv2466c to Activate the Antitubercular Prodrug TP053.
J.Biol.Chem., 290, 2015
4ZDJ
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BU of 4zdj by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules
分子名称: CTP synthase, GLYCEROL, MAGNESIUM ION, ...
著者Bellinzoni, M, Barilone, N, Alzari, P.M.
登録日2015-04-17
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
4ZDI
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BU of 4zdi by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG (apo form)
分子名称: CALCIUM ION, CTP synthase
著者Bellinzoni, M, Barilone, N, Alzari, P.M.
登録日2015-04-17
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
4ZDK
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BU of 4zdk by Molmil
Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine
分子名称: 5-OXO-L-NORLEUCINE, CTP synthase, MAGNESIUM ION, ...
著者Bellinzoni, M, Barilone, N, Alzari, P.M.
登録日2015-04-17
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
1HVX
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BU of 1hvx by Molmil
BACILLUS STEAROTHERMOPHILUS ALPHA-AMYLASE
分子名称: ALPHA-AMYLASE, CALCIUM ION, SODIUM ION
著者Suvd, D, Fujimoto, Z, Takase, K, Matsumura, M, Mizuno, H.
登録日2001-01-08
公開日2001-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Bacillus stearothermophilus alpha-amylase: possible factors determining the thermostability.
J.Biochem., 129, 2001
2MT7
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BU of 2mt7 by Molmil
Solution structure of spider-venom peptide Hs1a
分子名称: Hs1a
著者Klint, J.K, King, G.F, Mobli, M.
登録日2014-08-14
公開日2015-08-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Nav1.7 inhibitors normalise mechanical responses in chronic visceral hypersensitivity
To be Published
2OKW
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BU of 2okw by Molmil
A non-invasive GFP-based biosensor for mercury ions
分子名称: Green fluorescent protein
著者Chapleau, R.R, Blomberg, R, Ford, P.C, Sagermann, M.
登録日2007-01-17
公開日2007-12-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of a highly specific and noninvasive biosensor suitable for real-time in vivo imaging of mercury (II) uptake.
Protein Sci., 17, 2008
3USB
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BU of 3usb by Molmil
Crystal Structure of Bacillus anthracis Inosine Monophosphate Dehydrogenase in the complex with IMP
分子名称: CHLORIDE ION, GLYCEROL, INOSINIC ACID, ...
著者Kim, Y, Zhang, R, Wu, R, Gu, M, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-23
公開日2011-12-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes.
Biochemistry, 51, 2012
5K10
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BU of 5k10 by Molmil
Cryo-EM structure of isocitrate dehydrogenase (IDH1)
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
登録日2016-05-17
公開日2016-06-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
5K11
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BU of 5k11 by Molmil
Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
登録日2016-05-17
公開日2016-06-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
5K12
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BU of 5k12 by Molmil
Cryo-EM structure of glutamate dehydrogenase at 1.8 A resolution
分子名称: Glutamate dehydrogenase 1, mitochondrial
著者Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S.
登録日2016-05-17
公開日2016-06-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.8 Å)
主引用文献Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
6JYG
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BU of 6jyg by Molmil
Crystal Structure of L-threonine dehydrogenase from Phytophthora infestans
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CITRATE ANION, L-threonine 3-dehydrogenase, ...
著者Yoneda, K, Sakuraba, H, Ohshima, T.
登録日2019-04-26
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Catalytic properties and crystal structure of UDP-galactose 4-epimerase-like l-threonine 3-dehydrogenase from Phytophthora infestans.
Enzyme.Microb.Technol., 140, 2020
7UAD
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BU of 7uad by Molmil
Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484
分子名称: 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2
著者Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M.
登録日2022-03-12
公開日2023-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.044 Å)
主引用文献The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity.
Nature, 622, 2023
6ARO
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BU of 6aro by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with 8-hydroxyquinoline beta-galactoside
分子名称: 8-hydroxyquinoline beta-galactopyranoside, F9 pilus adhesin FmlH, SULFATE ION
著者Kalas, V, Hultgren, S.J.
登録日2017-08-23
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
6AOX
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BU of 6aox by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with TF antigen
分子名称: Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Kalas, V, Hultgren, S.J.
登録日2017-08-16
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
6AS8
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BU of 6as8 by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
分子名称: Fml fimbrial adhesin FmlD, ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
著者Kalas, V, Hultgren, S.J.
登録日2017-08-23
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018

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