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1PPT
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BU of 1ppt by Molmil
X-RAY ANALYSIS (1.4-ANGSTROMS RESOLUTION) OF AVIAN PANCREATIC POLYPEPTIDE. SMALL GLOBULAR PROTEIN HORMONE
Descriptor: AVIAN PANCREATIC POLYPEPTIDE, ZINC ION
Authors:Blundell, T.L, Pitts, J.E, Tickle, I.J, Wood, S.P.
Deposit date:1981-01-16
Release date:1981-02-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray analysis (1. 4-A resolution) of avian pancreatic polypeptide: Small globular protein hormone.
Proc.Natl.Acad.Sci.Usa, 78, 1981
6ZJI
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BU of 6zji by Molmil
Cryo-EM structure of wild-type KatG from M. tuberculosis
Descriptor: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-06-29
Release date:2021-07-07
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM as a tool to study KatG from Mycobacterium tuberculosis
To Be Published
1ENT
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BU of 1ent by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES. THE THREE-DIMENSIONAL STRUCTURE AT 2.1 ANGSTROMS RESOLUTION OF ENDOTHIAPEPSIN
Descriptor: ENDOTHIAPEPSIN, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
Authors:Blundell, T.L, Dealwis, C.G.
Deposit date:1992-03-11
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray analyses of aspartic proteinases. The three-dimensional structure at 2.1 A resolution of endothiapepsin.
J.Mol.Biol., 211, 1990
7A2I
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BU of 7a2i by Molmil
Cryo-EM structure of W107R KatG from M. tuberculosis
Descriptor: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-08-18
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7A7C
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BU of 7a7c by Molmil
Cryo-EM structure of W107R after heme uptake (1heme molecule) KatG from M. tuberculosis
Descriptor: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-08-27
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7A7A
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BU of 7a7a by Molmil
Cryo-EM structure of W107R after heme uptake (2heme molecules) KatG from M. tuberculosis
Descriptor: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-08-27
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7A8Z
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BU of 7a8z by Molmil
Cryo-EM structure of T275P KatG from M. tuberculosis
Descriptor: Catalase-peroxidase
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-08-31
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7AA3
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BU of 7aa3 by Molmil
T275P after heme uptake from M. tuberculosis
Descriptor: Catalase-peroxidase
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-09-03
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
7AG8
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BU of 7ag8 by Molmil
Cryo-EM structure of wild-type KatG from M. tuberculosis
Descriptor: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-09-21
Release date:2021-01-27
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
3SI5
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BU of 3si5 by Molmil
Kinetochore-BUBR1 kinase complex
Descriptor: Mitotic checkpoint serine/threonine-protein kinase BUB1 beta, Protein CASC5
Authors:Blundell, T.L, Chirgadze, D.Y, Bolanos-Garcia, V.M.
Deposit date:2011-06-17
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site.
Structure, 19, 2011
1EED
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BU of 1eed by Molmil
X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors
Descriptor: (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid, ENDOTHIAPEPSIN
Authors:Blundell, T.L, Frazao, C, Cooper, J.B.
Deposit date:1992-06-15
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
Biochemistry, 31, 1992
7Z88
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BU of 7z88 by Molmil
DNA-PK in the intermediate state
Descriptor: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
7Z87
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BU of 7z87 by Molmil
DNA-PK in the active state
Descriptor: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
4UQO
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BU of 4uqo by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2014-06-24
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
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:2023-08-02
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
6G6V
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BU of 6g6v by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 4-(2-carboxybenzoyl)-2-nitrobenzoic acid at 1.9A resolution.
Descriptor: 4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2018-04-03
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
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
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:2011-07-13
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
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
1BBS
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BU of 1bbs by Molmil
X-RAY ANALYSES OF PEPTIDE INHIBITOR COMPLEXES DEFINE THE STRUCTURAL BASIS OF SPECIFICITY FOR HUMAN AND MOUSE RENINS
Descriptor: RENIN
Authors:Dhanaraj, V, Blundell, T.L.
Deposit date:1992-05-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray analyses of peptide-inhibitor complexes define the structural basis of specificity for human and mouse renins.
Nature, 357, 1992
1B8Y
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BU of 1b8y by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY
Descriptor: CALCIUM ION, PROTEIN (STROMELYSIN-1), SULFATE ION, ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-02-03
Release date:1999-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
2ER7
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BU of 2er7 by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
Descriptor: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
Authors:Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-11-12
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
2ER9
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BU of 2er9 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
Descriptor: ENDOTHIAPEPSIN, L363,564
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
Descriptor: ENDOTHIAPEPSIN, L364,099
Authors:Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989

217705

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