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5NPS
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BU of 5nps by Molmil
The human O-GlcNAc transferase in complex with a bisubstrate inhibitor
Descriptor: 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate
Authors:Rafie, K, van Aalten, D.
Deposit date:2017-04-18
Release date:2018-05-16
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018
5NPR
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BU of 5npr by Molmil
The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor
Descriptor: POTASSIUM ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate, ...
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-04-18
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018
6Z7Q
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BU of 6z7q by Molmil
The atomic structure of the HAdVF-41 penton base in solution
Descriptor: Penton protein
Authors:Carlson, L.-A, Rafie, K.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structure of enteric human adenovirus 41-A leading cause of diarrhea in children.
Sci Adv, 7, 2021
6Z7N
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BU of 6z7n by Molmil
The atomic structure of HAdV-F41 at pH 7.4
Descriptor: Core-capsid bridging protein, Fiber protein, Hexon protein, ...
Authors:Carlson, L.-A, Rafie, K.
Deposit date:2020-05-31
Release date:2021-02-10
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:The structure of enteric human adenovirus 41-A leading cause of diarrhea in children.
Sci Adv, 7, 2021
5LWV
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BU of 5lwv by Molmil
Human OGT in complex with UDP and fused substrate peptide (HCF1)
Descriptor: GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ...
Authors:Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D.
Deposit date:2016-09-19
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
Descriptor: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-09-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
5BNW
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BU of 5bnw by Molmil
The active site of O-GlcNAc transferase imposes constraints on substrate sequence
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191
Authors:Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F.
Deposit date:2015-05-26
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
5C1D
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BU of 5c1d by Molmil
Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L)
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, PHOSPHATE ION, Retinoblastoma-like protein 2, ...
Authors:Schimpl, M, Rafie, K, van Aalten, D.M.F.
Deposit date:2015-06-13
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
5LVV
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BU of 5lvv by Molmil
Human OGT in complex with UDP and fused substrate peptide (Tab1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
Authors:Raimi, O.
Deposit date:2016-09-14
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
5O6C
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BU of 5o6c by Molmil
Crystal Structure of a threonine-selective RCR E3 ligase
Descriptor: E3 ubiquitin-protein ligase MYCBP2, ZINC ION
Authors:Pao, K.-C, Rafie, K.Z, van Aalten, D, Virdee, S.
Deposit date:2017-06-06
Release date:2018-04-18
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity.
Nature, 556, 2018
7AJP
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BU of 7ajp by Molmil
Crystal Structure of Human Adenovirus 56 Fiber Knob
Descriptor: 1,2-ETHANEDIOL, Fiber, GLYCEROL, ...
Authors:Strebl, M, Mindler, K, Stehle, T.
Deposit date:2020-09-29
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.382018 Å)
Cite:Human species D adenovirus hexon capsid protein mediates cell entry through a direct interaction with CD46.
Proc.Natl.Acad.Sci.USA, 118, 2021
4CDR
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BU of 4cdr by Molmil
Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1
Descriptor: GOBLIN1, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 KDA SUBUNIT, ...
Authors:Schimpl, M, Gundogdu, M, van Aalten, D.M.F.
Deposit date:2013-11-05
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Bisubstrate Udp-Peptide Conjugates as Human O-Glcnac Transferase Inhibitors.
Biochem.J., 457, 2014
4XI9
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BU of 4xi9 by Molmil
Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2)
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Retinoblastoma-like protein 2, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Schimpl, M, van Aalten, D.M.F.
Deposit date:2015-01-06
Release date:2015-08-05
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
4XIF
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BU of 4xif by Molmil
Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7)
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Keratin, type II cytoskeletal 7, ...
Authors:Schimpl, M, van Aalten, D.M.F.
Deposit date:2015-01-06
Release date:2015-08-05
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
5A01
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BU of 5a01 by Molmil
O-GlcNAc transferase from Drososphila melanogaster
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, O-GLYCOSYLTRANSFERASE
Authors:Mariappa, D, Zheng, X, Schimpl, M, Raimi, O, Rafie, K, Ferenbach, A.T, Mueller, H.J, van Aalten, D.M.F.
Deposit date:2015-04-15
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Dual functionality of O-GlcNAc transferase is required for Drosophila development.
Open Biol, 5, 2015

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