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2CHN
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BU of 2chn by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex
分子名称: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ...
著者Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J.
登録日2006-03-15
公開日2006-05-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
2CHO
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BU of 2cho by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity
分子名称: ACETATE ION, CALCIUM ION, GLUCOSAMINIDASE, ...
著者Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J.
登録日2006-03-16
公開日2006-06-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
2J47
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BU of 2j47 by Molmil
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor
分子名称: (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLUCOSAMINIDASE, GLYCEROL
著者Dennis, R.J, Davies, G.J.
登録日2006-08-25
公開日2006-10-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor
Chem. Commun., 42, 2006
2J4G
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BU of 2j4g by Molmil
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with n-butyl- thiazoline inhibitor
分子名称: (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, ACETATE ION, GLYCEROL, ...
著者Dennis, R.J, Davies, G.J.
登録日2006-08-31
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Analysis of Pugnac and Nag-Thiazoline as Transition State Analogues for Human O-Glcnacase: Mechanistic and Structural Insights Into Inhibitor Selectivity and Transition State Poise.
J.Am.Chem.Soc., 129, 2007
2JIW
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BU of 2jiw by Molmil
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine
分子名称: N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE, O-GLCNACASE BT_4395
著者Dennis, R.J, Davies, G.J.
登録日2007-07-02
公開日2007-08-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A 1-Acetamido Derivative of 6-Epi-Valienamine: An Inhibitor of a Diverse Group of Beta-N-Acetylglucosaminidases.
Org.Biomol.Chem., 5, 2007
2WLZ
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BU of 2wlz by Molmil
Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline.
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ...
著者Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J.
登録日2009-06-29
公開日2010-03-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines.
Angew.Chem.Int.Ed.Engl., 49, 2010
2WLY
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Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline.
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ...
著者Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J.
登録日2009-06-29
公開日2010-03-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Chitinase inhibition by chitobiose and chitotriose thiazolines.
Angew. Chem. Int. Ed. Engl., 49, 2010
2WK2
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BU of 2wk2 by Molmil
Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline dithioamide.
分子名称: 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose-(1-4)-2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CHITINASE A, ...
著者Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J.
登録日2009-06-04
公開日2010-03-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines.
Angew.Chem.Int.Ed.Engl., 49, 2010
2WM0
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BU of 2wm0 by Molmil
Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline thioamide.
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ...
著者Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J.
登録日2009-06-29
公開日2010-03-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines.
Angew.Chem.Int.Ed.Engl., 49, 2010
2CE4
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BU of 2ce4 by Molmil
Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans
分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN]
著者Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S.
登録日2006-02-03
公開日2006-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
2CDY
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BU of 2cdy by Molmil
Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans
分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN]
著者Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S.
登録日2006-01-31
公開日2006-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
2VVN
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BU of 2vvn by Molmil
BtGH84 in complex with NH-Butylthiazoline
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, AMMONIUM ION, GLYCEROL, ...
著者He, Y, Davies, G.J.
登録日2008-06-10
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Potent Mechanism-Inspired O-Glcnacase Inhibitor that Blocks Phosphorylation of Tau in Vivo.
Nat.Chem.Biol., 4, 2008
1AWH
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BU of 1awh by Molmil
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称: 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID, ALPHA THROMBIN
著者Jhoti, H, Cleasby, A, Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
1AWF
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BU of 1awf by Molmil
NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称: ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER
著者Jhoti, H, Cleasby, A, Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998

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