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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
6ZH2
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BU of 6zh2 by Molmil
Cryo-EM structure of DNA-PKcs (State 1)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-20
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZH4
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BU of 6zh4 by Molmil
Cryo-EM structure of DNA-PKcs (State 3)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-20
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZH6
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BU of 6zh6 by Molmil
Cryo-EM structure of DNA-PKcs:Ku80ct194
Descriptor: 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 (3.93 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
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-y l)-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:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of aspartic proteinases
FEBS Lett., 174, 1984
4ER2
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BU of 4er2 by Molmil
The active site of aspartic proteinases
Descriptor: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
Authors:Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2024-10-30
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:2024-10-09
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:2024-11-06
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
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
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
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
2WVI
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BU of 2wvi by Molmil
Crystal Structure of the N-terminal Domain of BubR1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MITOTIC CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1 BETA, ...
Authors:D'Arcy, S, Davies, O.R, Blundell, T.L, Bolanos-Garcia, V.M.
Deposit date:2009-10-16
Release date:2010-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Defining the Molecular Basis of Bubr1 Kinetochore Interactions and Anaphase-Promoting Complex/Cyclosome (Apc/C)-Cdc20 Inhibition
J.Biol.Chem., 285, 2010
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:2024-11-20
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding.
Science, 232, 1986
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:2025-03-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding.
Science, 232, 1986
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:2024-11-06
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:2024-11-13
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
4APE
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BU of 4ape by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN
Authors:Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L.
Deposit date:1986-06-09
Release date:1986-07-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
5CT2
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BU of 5ct2 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with CAPS
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Hepatocyte growth factor
Authors:Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CT3
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BU of 5ct3 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with 2FA
Descriptor: 3-hydroxypropane-1-sulfonic acid, Hepatocyte growth factor
Authors:Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CS3
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BU of 5cs3 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS
Descriptor: 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor
Authors:Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
1ER8
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BU of 1er8 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: Endothiapepsin, H-77
Authors:Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L.
Deposit date:1989-10-16
Release date:1991-10-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
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:2024-10-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CCDC61/VFL3 Is a Paralog of SAS6 and Promotes Ciliary Functions.
Structure, 28, 2020
4CJM
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BU of 4cjm by Molmil
Crystal structure of human FGF18
Descriptor: FIBROBLAST GROWTH FACTOR 18, SULFATE ION
Authors:Brown, A, Adam, L.E, Blundell, T.L.
Deposit date:2013-12-21
Release date:2014-04-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of Fibroblast Growth Factor 18 (Fgf18)
Protein Cell, 5, 2014
4D6P
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BU of 4d6p by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO AMPPNP
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, MAGNESIUM ION, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
1XES
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BU of 1xes by Molmil
Crystal structure of stilbene synthase from Pinus sylvestris
Descriptor: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase
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:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of stilbene synthase from Pinus sylvestris
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