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2Y4L
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BU of 2y4l by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH Manganese and GDP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MALONATE ION, ...
著者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.
登録日2011-01-07
公開日2011-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2Y4J
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BU of 2y4j by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH LACTATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LACTIC ACID, MANNOSYLGLYCERATE SYNTHASE, ...
著者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.
登録日2011-01-07
公開日2011-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2Y4M
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BU of 2y4m by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH GDP-Mannose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), ...
著者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.
登録日2011-01-07
公開日2011-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2Y4K
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BU of 2y4k by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH MG-GDP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ...
著者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.
登録日2011-01-07
公開日2011-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2W4X
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BU of 2w4x by Molmil
BtGH84 in complex with STZ
分子名称: CALCIUM ION, GLYCEROL, O-GLCNACASE BT_4395, ...
著者He, Y, Bubb, A, Martinez-Fleites, C, Davies, G.J.
登録日2008-12-02
公開日2009-02-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献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
分子名称: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395
著者Macauley, M.S, Bubb, A, Martinez-Fleites, C, Davies, G.J, Vocadlo, D.J.
登録日2008-06-11
公開日2008-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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
7KP7
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BU of 7kp7 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ...
著者Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
登録日2020-11-10
公開日2021-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor
著者Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T.
登録日2020-11-10
公開日2021-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: 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
著者Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
登録日2020-11-10
公開日2021-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
8B7H
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BU of 8b7h by Molmil
Crystal structure of human Gremlin-1 in complex with Fab
分子名称: Fab antibody fragment (heavy chain), Fab antibody fragment (light chain), Gremlin-1
著者Schulze, M.-S, Martinez-Fleites, C.
登録日2022-09-30
公開日2023-12-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of ginisortamab, a potent and novel anti-gremlin-1 antibody in clinical development for the treatment of cancer.
Mabs, 15, 2023
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
分子名称: ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ...
著者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)
登録日2013-08-12
公開日2013-09-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Crystal structure of macrolide glycosyltransferases OleD
To be Published
8QM8
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BU of 8qm8 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.585 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
8QM7
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BU of 8qm7 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
8QM5
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BU of 8qm5 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid, Eukaryotic translation initiation factor 4E, TRIETHYLENE GLYCOL
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.889 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
8QM9
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BU of 8qm9 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
8QM6
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BU of 8qm6 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: (1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol, (1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol, DI(HYDROXYETHYL)ETHER, ...
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
8QM4
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BU of 8qm4 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: 3-phenylphenol, DIMETHYL SULFOXIDE, Eukaryotic translation initiation factor 4E, ...
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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
分子名称: 1,2-ETHANEDIOL, ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE [UDP-FORMING], ...
著者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.
登録日2009-09-25
公開日2010-02-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: PUTATIVE MALEATE ISOMERASE, SUCCINIC ACID
著者Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G.
登録日2010-05-13
公開日2010-08-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PUTATIVE MALEATE ISOMERASE
著者Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G.
登録日2010-05-13
公開日2010-08-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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