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2Y4M
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BU of 2y4m by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH GDP-Mannose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), ...
Authors:Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J.
Deposit date:2011-01-07
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2IYA
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BU of 2iya by Molmil
The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering
Descriptor: (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, OLEANDOMYCIN GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE
Authors:Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J.
Deposit date:2006-07-13
Release date:2007-03-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity.
Proc.Natl.Acad.Sci.USA, 104, 2007
2IYF
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BU of 2iyf by Molmil
The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering
Descriptor: ERYTHROMYCIN A, MAGNESIUM ION, OLEANDOMYCIN GLYCOSYLTRANSFERASE, ...
Authors:Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J.
Deposit date:2006-07-17
Release date:2007-03-27
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity.
Proc.Natl.Acad.Sci.USA, 104, 2007
2JJM
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BU of 2jjm by Molmil
Crystal Structure of a family GT4 glycosyltransferase from Bacillus anthracis ORF BA1558.
Descriptor: GLYCOSYL TRANSFERASE, GROUP 1 FAMILY PROTEIN
Authors:Ruane, K.M, Davies, G.J, Martinez-Fleites, C.
Deposit date:2008-04-15
Release date:2008-08-05
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of a Family Gt4 Glycosyltransferase from Bacillus Anthracis Orf Ba1558.
Proteins, 73, 2008
2W4X
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BU of 2w4x by Molmil
BtGH84 in complex with STZ
Descriptor: CALCIUM ION, GLYCEROL, O-GLCNACASE BT_4395, ...
Authors:He, Y, Bubb, A, Martinez-Fleites, C, Davies, G.J.
Deposit date:2008-12-02
Release date:2009-02-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Insight Into the Mechanism of Streptozotocin Inhibition of O-Glcnacase.
Carbohydr.Res., 344, 2009
2VVS
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BU of 2vvs by Molmil
BtGH84 structure in complex with PUGNAc
Descriptor: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395
Authors:Macauley, M.S, Bubb, A, Martinez-Fleites, C, Davies, G.J, Vocadlo, D.J.
Deposit date:2008-06-11
Release date:2008-09-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Elevation of Global O-Glcnac Levels in 3T3-L1 Adipocytes by Selective Inhibition of O-Glcnacase Does not Induce Insulin Resistance
J.Biol.Chem., 283, 2008
8B7H
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BU of 8b7h by Molmil
Crystal structure of human Gremlin-1 in complex with Fab
Descriptor: Fab antibody fragment (heavy chain), Fab antibody fragment (light chain), Gremlin-1
Authors:Schulze, M.-S, Martinez-Fleites, C.
Deposit date:2022-09-30
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of ginisortamab, a potent and novel anti-gremlin-1 antibody in clinical development for the treatment of cancer.
Mabs, 15, 2023
7KP7
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BU of 7kp7 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ...
Authors:Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
7KP9
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BU of 7kp9 by Molmil
asymmetric hTNF-alpha
Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor
Authors:Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
7KP8
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BU of 7kp8 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1A
Authors:Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
4M83
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BU of 4m83 by Molmil
Ensemble refinement of protein crystal structure (2IYF) of macrolide glycosyltransferases OleD complexed with UDP and Erythromycin A
Descriptor: ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ...
Authors:Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2013-08-12
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Crystal structure of macrolide glycosyltransferases OleD
To be Published
2WTX
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BU of 2wtx by Molmil
Insight into the mechanism of enzymatic glycosyltransfer with retention through the synthesis and analysis of bisubstrate glycomimetics of trehalose-6-phosphate synthase
Descriptor: 1,2-ETHANEDIOL, ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE [UDP-FORMING], ...
Authors:Errey, J.C, Lee, S.S, Gibson, R.P, Martinez-Fleites, C, Barry, C.S, Jung, P.M.J, OSullivan, A, Davis, B.G, Davies, G.J.
Deposit date:2009-09-25
Release date:2010-02-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanistic Insight Into Enzymatic Glycosyl Transfer with Retention of Configuration Through Analysis of Glycomimetic Inhibitors.
Angew.Chem.Int.Ed.Engl., 49, 2010
2XED
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BU of 2xed by Molmil
Nocardia farcinica maleate cis-trans isomerase C194S mutant with a covalently bound succinylcysteine intermediate
Descriptor: PUTATIVE MALEATE ISOMERASE, SUCCINIC ACID
Authors:Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G.
Deposit date:2010-05-13
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase.
J.Am.Chem.Soc., 132, 2010
2XEC
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BU of 2xec by Molmil
Nocardia farcinica maleate cis-trans isomerase bound to TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PUTATIVE MALEATE ISOMERASE
Authors:Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G.
Deposit date:2010-05-13
Release date:2010-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase.
J.Am.Chem.Soc., 132, 2010
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