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6XO4
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BU of 6xo4 by Molmil
CryoEM structure of Eastern Equine Encephalitis (EEEV) VLP
Descriptor: Togavirin
Authors:Binshtein, E, Crowe, J.E.
Deposit date:2020-07-06
Release date:2020-12-23
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Human Antibodies Protect against Aerosolized Eastern Equine Encephalitis Virus Infection.
Cell, 183, 2020
7OGA
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BU of 7oga by Molmil
GTPase HRAS under 200 MPa pressure
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Colloc'h, N.C, Kalbitzer, H.R, Girard, E, Prange, T.
Deposit date:2021-05-06
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography.
Chem Sci, 13, 2022
8OGA
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BU of 8oga by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6
Descriptor: 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, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
6OGA
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BU of 6oga by Molmil
Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3-Br1Y), H148D; circular permutant (50-51)
Descriptor: ACETATE ION, Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3-Br1Y), ...
Authors:Lin, C.-Y, Boxer, S.G.
Deposit date:2019-04-02
Release date:2020-04-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unusual Spectroscopic and Electric Field Sensitivity of Chromophores with Short Hydrogen Bonds: GFP and PYP as Model Systems.
J.Phys.Chem.B, 124, 2020
4OGA
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BU of 4oga by Molmil
Insulin in complex with Site 1 of the human insulin receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
Authors:Lawrence, M.C, Menting, J.G.
Deposit date:2014-01-15
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Protective hinge in insulin opens to enable its receptor engagement.
Proc.Natl.Acad.Sci.USA, 111, 2014
2OGA
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BU of 2oga by Molmil
X-ray crystal structure of S. venezuelae DesV in complex with ketimine intermediate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, ...
Authors:Holden, H.M, Burgie, E.S.
Deposit date:2007-01-05
Release date:2007-05-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular architecture of DesV from Streptomyces venezuelae: A PLP-dependent transaminase involved in the biosynthesis of the unusual sugar desosamine.
Protein Sci., 16, 2007
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
Descriptor: BETA-MERCAPTOETHANOL, Nucleoside triphosphatase nudI, PHOSPHATE ION
Authors:Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-08-16
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:1.75 Angstrom resolution crystal structure of a putative NTP pyrophosphohydrolase (yfaO) from Salmonella typhimurium LT2
To be Published
5OGA
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BU of 5oga by Molmil
Structure of minimal i-motif domain
Descriptor: 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')
Authors:Mir, B, Serrano, I, Buitrago, D, Orozco, M, Escaja, N, Gonzalez, C.
Deposit date:2017-07-12
Release date:2017-11-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Prevalent Sequences in the Human Genome Can Form Mini i-Motif Structures at Physiological pH.
J. Am. Chem. Soc., 139, 2017
1OGA
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BU of 1oga by Molmil
A structural basis for immunodominant human T-cell receptor recognition.
Descriptor: BETA-2-MICROGLOBULIN, GILGFVFTL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Stewart-Jones, G.B.E, McMichael, A.J, Bell, J.I, Stuart, D.I, Jones, E.Y.
Deposit date:2003-04-28
Release date:2003-06-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Structural Basis for Immunodominant Human T Cell Receptor Recognition
Nat.Immunol., 4, 2003
2OGE
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BU of 2oge by Molmil
x-ray structure of S. venezuelae DesV in its internal aldimine form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Holden, H.M, Burgie, E.S.
Deposit date:2007-01-05
Release date:2007-05-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: O-GlcNAcase nagJ
Authors:Chitayat, S, Adams, J.J, Gregg, K, Boraston, A.B, Smith, S.P.
Deposit date:2006-12-04
Release date:2007-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Three-dimensional structure of a putative non-cellulosomal cohesin module from a Clostridium perfringens family 84 glycoside hydrolase.
J.Mol.Biol., 375, 2008
4UR9
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BU of 4ur9 by Molmil
Structure of ligand bound glycosylhydrolase
Descriptor: 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
Authors:Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E.
Deposit date:2014-06-27
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
5MI5
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BU of 5mi5 by Molmil
BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc
Descriptor: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI6
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BU of 5mi6 by Molmil
BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G
Descriptor: (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, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI7
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BU of 5mi7 by Molmil
BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc
Descriptor: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI4
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BU of 5mi4 by Molmil
BtGH84 mutant with covalent modification by MA3
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
2J62
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BU of 2j62 by Molmil
Structure of a bacterial O-glcnacase in complex with glcnacstatin
Descriptor: 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
Authors:Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F.
Deposit date:2006-09-22
Release date:2007-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels.
J. Am. Chem. Soc., 128, 2006
2JH2
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BU of 2jh2 by Molmil
X-ray crystal structure of a cohesin-like module from Clostridium perfringens
Descriptor: O-GLCNACASE NAGJ
Authors:Chitayat, S, Gregg, K, Adams, J.J, Ficko-Blean, E, Bayer, E.A, Boraston, A.B, Smith, S.P.
Deposit date:2007-02-19
Release date:2007-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-Dimensional Structure of a Putative Non- Cellulosomal Cohesin Module from a Clostridium Perfringens Family 84 Glycoside Hydrolase.
J.Mol.Biol., 375, 2008
2JIW
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BU of 2jiw by Molmil
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine
Descriptor: N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE, O-GLCNACASE BT_4395
Authors:Dennis, R.J, Davies, G.J.
Deposit date:2007-07-02
Release date:2007-08-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A 1-Acetamido Derivative of 6-Epi-Valienamine: An Inhibitor of a Diverse Group of Beta-N-Acetylglucosaminidases.
Org.Biomol.Chem., 5, 2007
2VUR
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BU of 2vur by Molmil
Chemical dissection of the link between Streptozotocin, O-GlcNAc and pancreatic cell death
Descriptor: 2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose, O-GLCNACASE NAGJ, SULFATE ION
Authors:Pathak, S, Dorfmueller, H.C, Borodkin, V.S, van Aalten, D.M.F.
Deposit date:2008-05-29
Release date:2009-02-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chemical Dissection of the Link between Streptozotocin, O-Glcnac, and Pancreatic Cell Death.
Chem.Biol., 15, 2008
2V5D
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BU of 2v5d by Molmil
Structure of a Family 84 Glycoside Hydrolase and a Family 32 Carbohydrate-Binding Module in Tandem from Clostridium perfringens.
Descriptor: CALCIUM ION, O-GLCNACASE NAGJ
Authors:Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Smith, S.J, Czjzek, M, Boraston, A.B.
Deposit date:2008-10-02
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens
J.Biol.Chem., 284, 2009
2V5C
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BU of 2v5c by Molmil
Family 84 glycoside hydrolase from Clostridium perfringens, 2.1 Angstrom structure
Descriptor: CACODYLATE ION, CALCIUM ION, O-GLCNACASE NAGJ, ...
Authors:Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Smith, S.J, Czjzek, M, Boraston, A.B.
Deposit date:2008-10-02
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens
J.Biol.Chem., 284, 2009
2WCA
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BU of 2wca by Molmil
BtGH84 in complex with n-butyl pugnac
Descriptor: CALCIUM ION, O-GLCNACASE BT_4395, [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
Authors:He, Y, Davies, G.J.
Deposit date:2009-03-10
Release date:2009-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight Into a Strategy for Attenuating Ampc- Mediated Beta-Lactam Resistance: Structural Basis for Selective Inhibition of the Glycoside Hydrolase Nagz.
Protein Sci., 18, 2009
2W66
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BU of 2w66 by Molmil
BtGH84 in complex with HQ602
Descriptor: CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ...
Authors:He, Y, Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
2W1N
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BU of 2w1n by Molmil
cohesin and fibronectin type-III double module construct from the Clostridium perfringens glycoside hydrolase GH84C
Descriptor: ACETATE ION, O-GLCNACASE NAGJ
Authors:Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Czjzek, M, Smith, S.J, Boraston, A.B.
Deposit date:2008-10-17
Release date:2009-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens
J.Biol.Chem., 284, 2009

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