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BU of 5nps by Molmil

The human O-GlcNAc transferase in complex with a bisubstrate inhibitor
分子名称:	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
著者	Rafie, K, van Aalten, D.
登録日	2017-04-18
公開日	2018-05-16
最終更新日	2023-03-15
実験手法	X-RAY DIFFRACTION (1.68 Å)
主引用文献	Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors. Bioconjug. Chem., 29, 2018

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BU of 5npr by Molmil

The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor
分子名称:	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, ...
著者	Rafie, K, van Aalten, D.M.F.
登録日	2017-04-18
公開日	2018-05-16
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors. Bioconjug. Chem., 29, 2018

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BU of 6z7q by Molmil

The atomic structure of the HAdVF-41 penton base in solution
分子名称:	Penton protein
著者	Carlson, L.-A, Rafie, K.
登録日	2020-06-01
公開日	2020-11-25
最終更新日	2024-05-22
実験手法	ELECTRON MICROSCOPY (3.8 Å)
主引用文献	The structure of enteric human adenovirus 41-A leading cause of diarrhea in children. Sci Adv, 7, 2021

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BU of 6z7n by Molmil

The atomic structure of HAdV-F41 at pH 7.4
分子名称:	Core-capsid bridging protein, Fiber protein, Hexon protein, ...
著者	Carlson, L.-A, Rafie, K.
登録日	2020-05-31
公開日	2021-02-10
最終更新日	2024-05-22
実験手法	ELECTRON MICROSCOPY (3.77 Å)
主引用文献	The structure of enteric human adenovirus 41-A leading cause of diarrhea in children. Sci Adv, 7, 2021

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BU of 5oxd by Molmil

Complex of a C. perfringens O-GlcNAcase with a fragment hit
分子名称:	5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
著者	Rafie, K, van Aalten, D.M.F.
登録日	2017-09-06
公開日	2018-05-16
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry. ACS Chem. Biol., 13, 2018

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BU of 5lwv by Molmil

Human OGT in complex with UDP and fused substrate peptide (HCF1)
分子名称:	GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ...
著者	Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D.
登録日	2016-09-19
公開日	2017-07-12
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats. Open Biol, 7, 2017

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BU of 5bnw by Molmil

The active site of O-GlcNAc transferase imposes constraints on substrate sequence
分子名称:	(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
著者	Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F.
登録日	2015-05-26
公開日	2015-08-05
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015

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BU of 5c1d by Molmil

Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L)
分子名称:	(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, ...
著者	Schimpl, M, Rafie, K, van Aalten, D.M.F.
登録日	2015-06-13
公開日	2015-08-05
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015

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BU of 5lvv by Molmil

Human OGT in complex with UDP and fused substrate peptide (Tab1)
分子名称:	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
著者	Raimi, O.
登録日	2016-09-14
公開日	2017-07-12
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.54 Å)
主引用文献	Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats. Open Biol, 7, 2017

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BU of 5o6c by Molmil

Crystal Structure of a threonine-selective RCR E3 ligase
分子名称:	E3 ubiquitin-protein ligase MYCBP2, ZINC ION
著者	Pao, K.-C, Rafie, K.Z, van Aalten, D, Virdee, S.
登録日	2017-06-06
公開日	2018-04-18
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity. Nature, 556, 2018

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BU of 7ajp by Molmil

Crystal Structure of Human Adenovirus 56 Fiber Knob
分子名称:	1,2-ETHANEDIOL, Fiber, GLYCEROL, ...
著者	Strebl, M, Mindler, K, Stehle, T.
登録日	2020-09-29
公開日	2021-01-13
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.382018 Å)
主引用文献	Human species D adenovirus hexon capsid protein mediates cell entry through a direct interaction with CD46. Proc.Natl.Acad.Sci.USA, 118, 2021

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BU of 4cdr by Molmil

Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1
分子名称:	GOBLIN1, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 KDA SUBUNIT, ...
著者	Schimpl, M, Gundogdu, M, van Aalten, D.M.F.
登録日	2013-11-05
公開日	2013-12-04
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (3.15 Å)
主引用文献	Bisubstrate Udp-Peptide Conjugates as Human O-Glcnac Transferase Inhibitors. Biochem.J., 457, 2014

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BU of 4xi9 by Molmil

Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2)
分子名称:	(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
著者	Schimpl, M, van Aalten, D.M.F.
登録日	2015-01-06
公開日	2015-08-05
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (3.1 Å)
主引用文献	The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015

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BU of 4xif by Molmil

Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7)
分子名称:	(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, ...
著者	Schimpl, M, van Aalten, D.M.F.
登録日	2015-01-06
公開日	2015-08-05
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (3.2 Å)
主引用文献	The active site of O-GlcNAc transferase imposes constraints on substrate sequence. Nat.Struct.Mol.Biol., 22, 2015

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BU of 5a01 by Molmil

O-GlcNAc transferase from Drososphila melanogaster
分子名称:	(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
著者	Mariappa, D, Zheng, X, Schimpl, M, Raimi, O, Rafie, K, Ferenbach, A.T, Mueller, H.J, van Aalten, D.M.F.
登録日	2015-04-15
公開日	2016-04-27
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.66 Å)
主引用文献	Dual functionality of O-GlcNAc transferase is required for Drosophila development. Open Biol, 5, 2015

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件を2024-09-11に公開中

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