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1XET
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BU of 1xet by Molmil
Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA
Descriptor: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase, METHYLMALONYL-COENZYME A
Authors:Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L.
Deposit date:2004-09-12
Release date:2006-04-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA
To be Published
1BLX
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BU of 1blx by Molmil
P19INK4D/CDK6 COMPLEX
Descriptor: CALCIUM ION, CYCLIN-DEPENDENT KINASE 6, P19INK4D
Authors:Brotherton, D.H, Dhanaraj, V, Wick, S, Brizuela, L, Domaille, P.J, Volyanik, E, Xu, X, Parisini, E, Smith, B.O, Archer, S.J, Serrano, M, Brenner, S.L, Blundell, T.L, Laue, E.D.
Deposit date:1998-07-21
Release date:1999-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex of the cyclin D-dependent kinase Cdk6 bound to the cell-cycle inhibitor p19INK4d.
Nature, 395, 1998
2J66
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BU of 2j66 by Molmil
Structural characterisation of BtrK decarboxylase from butirosin biosynthesis
Descriptor: 1,2-ETHANEDIOL, BTRK, PYRIDOXAL-5'-PHOSPHATE
Authors:Popovic, B, Li, Y, Chirgadze, D.Y, Blundell, T.L, Spencer, J.B.
Deposit date:2006-09-26
Release date:2006-09-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Characterisation of Btrk Decarboxylase from Bacillus Circulans Butirosin Biosynthesis
To be Published
2JXR
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BU of 2jxr by Molmil
STRUCTURE OF YEAST PROTEINASE A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide, PROTEINASE A, ...
Authors:Aguilar, C.F, Badasso, M, Dreyer, T, Cronin, N.B, Newman, M.P, Cooper, J.B, Hoover, D.J, Wood, S.P, Johnson, M.S, Blundell, T.L.
Deposit date:1997-04-24
Release date:1997-10-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae.
J.Mol.Biol., 267, 1997
4GCR
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BU of 4gcr by Molmil
STRUCTURE OF THE BOVINE EYE LENS PROTEIN GAMMA-B (GAMMA-II)-CRYSTALLIN AT 1.47 ANGSTROMS
Descriptor: GAMMA-B CRYSTALLIN
Authors:Slingsby, C, Najmudin, S, Nalini, V, Driessen, H.P.C, Blundell, T.L, Moss, D.S, Lindley, P.
Deposit date:1992-04-02
Release date:1993-10-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure of the bovine eye lens protein gammaB(gammaII)-crystallin at 1.47 A.
Acta Crystallogr.,Sect.D, 49, 1993
8OWP
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BU of 8owp by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(4-hydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWR
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BU of 8owr by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.439 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OW5
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BU of 8ow5 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 5-methoxy-1H-indole-2-carboxylic acid
Descriptor: 5-methoxy-1H-indole-2-carboxylic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWB
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BU of 8owb by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-27
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWQ
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BU of 8owq by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
Descriptor: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Mendes, V, Blundell, T.L.
Deposit date:2023-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8QID
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BU of 8qid by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment
Descriptor: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QJ8
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BU of 8qj8 by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QIX
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BU of 8qix by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QIY
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BU of 8qiy by Molmil
Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor
Descriptor: 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L.
Deposit date:2023-09-12
Release date:2024-07-24
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.5149 Å)
Cite:A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling.
Angew.Chem.Int.Ed.Engl., 63, 2024
2Q1T
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BU of 2q1t by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+ and UDP
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, URIDINE-5'-DIPHOSPHATE
Authors:Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L.
Deposit date:2007-05-25
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
2Q1W
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BU of 2q1w by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmH in complex with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase
Authors:King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L.
Deposit date:2007-05-25
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
2PZM
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BU of 2pzm by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD and UDP
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, SULFATE ION, ...
Authors:Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L.
Deposit date:2007-05-18
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
2PZK
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BU of 2pzk by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase
Authors:King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L.
Deposit date:2007-05-18
Release date:2007-10-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
2Q1U
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BU of 2q1u by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+ and UDP
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, ...
Authors:Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L.
Deposit date:2007-05-25
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
2PZL
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BU of 2pzl by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD and UDP
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, URIDINE-5'-DIPHOSPHATE
Authors:King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L.
Deposit date:2007-05-18
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
2Q1S
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BU of 2q1s by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase
Authors:Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L.
Deposit date:2007-05-25
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
2PZJ
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BU of 2pzj by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase
Authors:Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L.
Deposit date:2007-05-18
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
6ZH8
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BU of 6zh8 by Molmil
Cryo-EM structure of DNA-PKcs:DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*T)-3'), DNA-dependent protein kinase catalytic subunit,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-21
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZHA
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BU of 6zha by Molmil
Cryo-EM structure of DNA-PK monomer
Descriptor: DNA, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5, ...
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-21
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
3DAR
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BU of 3dar by Molmil
Crystal structure of D2 domain from human FGFR2
Descriptor: Fibroblast growth factor receptor 2
Authors:Brown, A, Blundell, T.L.
Deposit date:2008-05-30
Release date:2008-06-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the FGFR2 D2 domain
To be Published

238582

数据于2025-07-09公开中

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