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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
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
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
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
4ER1
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BU of 4er1 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
Authors:Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-10-14
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
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
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
5JIO
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BU of 5jio by Molmil
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and Glucose-6-phosphate.
Descriptor: 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
Deposit date:2016-04-22
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
5K42
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BU of 5k42 by Molmil
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with GDP-glucose.
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ...
Authors:Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
Deposit date:2016-05-20
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.921 Å)
Cite:Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
5K5C
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BU of 5k5c by Molmil
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose.
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ...
Authors:Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, H-189
Authors:Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
Descriptor: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
Authors:Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
5ER2
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BU of 5er2 by Molmil
High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme
Descriptor: 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN
Authors:Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
5ER1
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BU of 5er1 by Molmil
A rational approach to the design of antihypertensives. X-ray studies of complexes between aspartic proteinases and aminoalcohol renin inhibitors
Descriptor: ENDOTHIAPEPSIN, methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate
Authors:Cooper, J.B, Foundling, S.I, Blundell, T.L.
Deposit date:1990-11-07
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Rational Approach to the Design of Antihypertensives. X-Ray Studies of Complexes between Aspartic Proteinases and Aminoalcohol Renin Inhibitors
Topics in Medicinal Chemistry, 1988
2BF9
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BU of 2bf9 by Molmil
Anisotropic refinement of avian (turkey) pancreatic polypeptide at 0. 99 Angstroms resolution.
Descriptor: PANCREATIC HORMONE, ZINC ION
Authors:Tickle, I, Glover, I, Pitts, J, Wood, S, Blundell, T.L.
Deposit date:2004-12-06
Release date:2004-12-08
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Conformational Flexibility in a Small Globular Hormone. X-Ray Analysis of Avian Pancreatic Polypeptide at 0.98 Angstroms Resolution
Biopolymers, 22, 1983
1XY2
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BU of 1xy2 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
Descriptor: OXYTOCIN
Authors:Cooper, S, Blundell, T.L, Pitts, J.E, Wood, S.P, Tickle, I.J.
Deposit date:1987-06-05
Release date:1988-04-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding.
Science, 232, 1986
1XY1
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BU of 1xy1 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING
Descriptor: BETA-MERCAPTOPROPIONATE-OXYTOCIN
Authors:Husain, J, Blundell, T.L, Wood, S.P, Tickle, I.J, Cooper, S, Pitts, J.E.
Deposit date:1987-06-05
Release date:1988-04-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding.
Science, 232, 1986
6MJY
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BU of 6mjy by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
Descriptor: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-09-23
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
6ZFP
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BU of 6zfp by Molmil
Cryo-EM structure of DNA-PKcs (State 2)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-PKcs,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-17
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZHE
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BU of 6zhe by Molmil
Cryo-EM structure of DNA-PK dimer
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-23
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.24 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
4Y18
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BU of 4y18 by Molmil
Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide
Descriptor: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
Authors:Wu, Q, Blundell, T.L.
Deposit date:2015-02-06
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
4Y2G
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BU of 4y2g by Molmil
Structure of BRCA1 BRCT domains in complex with Abraxas single phosphorylated peptide
Descriptor: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
Authors:Wu, Q, Blundell, T.L.
Deposit date:2015-02-09
Release date:2016-01-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
6HXT
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BU of 6hxt by Molmil
Crystal structure of the head domain of human CCDC61
Descriptor: Coiled-coil domain-containing protein 61
Authors:Ochi, T, Blundell, T.L, van Breugel, M.
Deposit date:2018-10-18
Release date:2020-04-29
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CCDC61/VFL3 Is a Paralog of SAS6 and Promotes Ciliary Functions.
Structure, 28, 2020
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

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