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3V3S
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Crystal structure of GES-18
分子名称: Extended spectrum beta-lactamase GES-18
著者Delbruck, H, Hoffmann, K.M.V, Bebrone, C.
登録日2011-12-14
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献GES-18, a new carbapenem-hydrolyzing GES-Type beta-lactamase from pseudomonas aeruginosa that contains Ile80 and Ser170 residues.
Antimicrob.Agents Chemother., 57, 2013
3UMX
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BU of 3umx by Molmil
Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one
分子名称: (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2011-11-15
公開日2012-08-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
3V3R
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Crystal Structure of GES-11
分子名称: Extended spectrum class A beta-lactamase GES-11, IODIDE ION, SODIUM ION
著者Delbruck, H, Hoffmann, K.M.V, Bebrone, C.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Kinetic and crystallographic studies of extended-spectrum GES-11, GES-12, and GES-14 beta-lactamases.
Antimicrob.Agents Chemother., 56, 2012
3V4K
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BU of 3v4k by Molmil
First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G
分子名称: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ...
著者Shandilya, S.M.D, Ali, A, Schiffer, C.A.
登録日2011-12-15
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
2W47
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Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid
分子名称: 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ...
著者Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J.
登録日2008-11-21
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WZZ
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BU of 2wzz by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03
分子名称: (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
2WZX
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
分子名称: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
2YXN
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BU of 2yxn by Molmil
Structual basis of azido-tyrosine recognition by engineered bacterial Tyrosyl-tRNA synthetase
分子名称: 3-AZIDO-L-TYROSINE, Tyrosyl-tRNA synthetase
著者Oki, K, Kobayashi, T, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-26
公開日2008-04-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional replacement of the endogenous tyrosyl-tRNA synthetase-tRNATyr pair by the archaeal tyrosine pair in Escherichia coli for genetic code expansion
Nucleic Acids Res., 38, 2010
2OGA
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BU of 2oga by Molmil
X-ray crystal structure of S. venezuelae DesV in complex with ketimine intermediate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, ...
著者Holden, H.M, Burgie, E.S.
登録日2007-01-05
公開日2007-05-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular architecture of DesV from Streptomyces venezuelae: A PLP-dependent transaminase involved in the biosynthesis of the unusual sugar desosamine.
Protein Sci., 16, 2007
4OGA
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Insulin in complex with Site 1 of the human insulin receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Menting, J.G.
登録日2014-01-15
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Protective hinge in insulin opens to enable its receptor engagement.
Proc.Natl.Acad.Sci.USA, 111, 2014
7OGA
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GTPase HRAS under 200 MPa pressure
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Colloc'h, N.C, Kalbitzer, H.R, Girard, E, Prange, T.
登録日2021-05-06
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
6OGA
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Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3-Br1Y), H148D; circular permutant (50-51)
分子名称: ACETATE ION, Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3-Br1Y), ...
著者Lin, C.-Y, Boxer, S.G.
登録日2019-04-02
公開日2020-04-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Unusual Spectroscopic and Electric Field Sensitivity of Chromophores with Short Hydrogen Bonds: GFP and PYP as Model Systems.
J.Phys.Chem.B, 124, 2020
8OGA
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Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6
分子名称: 1,2-ETHANEDIOL, 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1, ...
著者Schroeder, M, Vulpetti, A, Renatus, M.
登録日2023-03-19
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
3OGA
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BU of 3oga by Molmil
1.75 Angstrom resolution crystal structure of a putative NTP pyrophosphohydrolase (yfaO) from Salmonella typhimurium LT2
分子名称: BETA-MERCAPTOETHANOL, Nucleoside triphosphatase nudI, PHOSPHATE ION
著者Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-08-16
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献1.75 Angstrom resolution crystal structure of a putative NTP pyrophosphohydrolase (yfaO) from Salmonella typhimurium LT2
To be Published
6XO4
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BU of 6xo4 by Molmil
CryoEM structure of Eastern Equine Encephalitis (EEEV) VLP
分子名称: Togavirin
著者Binshtein, E, Crowe, J.E.
登録日2020-07-06
公開日2020-12-23
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Human Antibodies Protect against Aerosolized Eastern Equine Encephalitis Virus Infection.
Cell, 183, 2020
1OGA
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BU of 1oga by Molmil
A structural basis for immunodominant human T-cell receptor recognition.
分子名称: BETA-2-MICROGLOBULIN, GILGFVFTL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Stewart-Jones, G.B.E, McMichael, A.J, Bell, J.I, Stuart, D.I, Jones, E.Y.
登録日2003-04-28
公開日2003-06-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Structural Basis for Immunodominant Human T Cell Receptor Recognition
Nat.Immunol., 4, 2003
5OGA
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Structure of minimal i-motif domain
分子名称: DNA (5'-D(*TP*(DCP)P*GP*TP*TP*CP*(DCP)P*GP*TP*TP*TP*TP*TP*CP*GP*TP*TP*CP*CP*GP*T)-3')
著者Mir, B, Serrano, I, Buitrago, D, Orozco, M, Escaja, N, Gonzalez, C.
登録日2017-07-12
公開日2017-11-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Prevalent Sequences in the Human Genome Can Form Mini i-Motif Structures at Physiological pH.
J. Am. Chem. Soc., 139, 2017
2OGE
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x-ray structure of S. venezuelae DesV in its internal aldimine form
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Holden, H.M, Burgie, E.S.
登録日2007-01-05
公開日2007-05-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular architecture of DesV from Streptomyces venezuelae: A PLP-dependent transaminase involved in the biosynthesis of the unusual sugar desosamine.
Protein Sci., 16, 2007
2O4E
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BU of 2o4e by Molmil
The solution structure of a protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens
分子名称: O-GlcNAcase nagJ
著者Chitayat, S, Adams, J.J, Gregg, K, Boraston, A.B, Smith, S.P.
登録日2006-12-04
公開日2007-11-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of a putative non-cellulosomal cohesin module from a Clostridium perfringens family 84 glycoside hydrolase.
J.Mol.Biol., 375, 2008
5MI5
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BU of 5mi5 by Molmil
BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc
分子名称: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
著者Darby, J.F, Davies, G.J, Hubbard, R.E.
登録日2016-11-27
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI4
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BtGH84 mutant with covalent modification by MA3
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ...
著者Darby, J.F, Davies, G.J, Hubbard, R.E.
登録日2016-11-27
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI6
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BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G
分子名称: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Darby, J.F, Davies, G.J, Hubbard, R.E.
登録日2016-11-27
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI7
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BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc
分子名称: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
著者Darby, J.F, Davies, G.J, Hubbard, R.E.
登録日2016-11-27
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
4UR9
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Structure of ligand bound glycosylhydrolase
分子名称: 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
著者Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E.
登録日2014-06-27
公開日2015-02-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
2J62
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Structure of a bacterial O-glcnacase in complex with glcnacstatin
分子名称: CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ
著者Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F.
登録日2006-09-22
公開日2007-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels.
J. Am. Chem. Soc., 128, 2006

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