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PDB: 481 results

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
1GCN
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BU of 1gcn by Molmil
X-RAY ANALYSIS OF GLUCAGON AND ITS RELATIONSHIP TO RECEPTOR BINDING
Descriptor: GLUCAGON
Authors:Blundell, T.L, Sasaki, K, Dockerill, S, Tickle, I.J.
Deposit date:1977-10-17
Release date:1977-11-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray analysis of glucagon and its relationship to receptor binding.
Nature, 257, 1975
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
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
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:2024-07-10
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
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:2024-07-10
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
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:2024-07-10
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
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:2024-07-10
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:2024-07-10
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:2024-07-10
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
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
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
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM as a tool to study KatG from Mycobacterium tuberculosis
To Be Published
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
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
1TJ6
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BU of 1tj6 by Molmil
Crystal structure of the Xenopus tropicalis Spred1 EVH-1 domain
Descriptor: Spred1
Authors:Harmer, N.J, Sivak, J, Amaya, E, Blundell, T.L.
Deposit date:2004-06-03
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:1.65A Crystal structure of the X. tropicalis Spred1 Enabled/Vasodilator-stimulated phosphoprotein homology-1 domain
To be Published
3WTF
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BU of 3wtf by Molmil
Structure of PAXX
Descriptor: Uncharacterized protein C9orf142
Authors:Ochi, T, Blundell, T.L.
Deposit date:2014-04-09
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.451 Å)
Cite:DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair.
Science, 347, 2015
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
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 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
Method:X-RAY DIFFRACTION (1.5149 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 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
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 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
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:A fragment based competitive 19F LB-NMR platform for hotspot directed ligand profiling.
Angew.Chem.Int.Ed.Engl., 2024
3ESL
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BU of 3esl by Molmil
Crystal structure of the conserved N-terminal domain of the mitotic checkpoint component BUB1
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Checkpoint serine/threonine-protein kinase BUB1
Authors:Bolanos-Garcia, V.M, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Crystal Structure of the N-Terminal Region of BUB1 Provides Insight into the Mechanism of BUB1 Recruitment to Kinetochores.
Structure, 17, 2009
5KDD
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BU of 5kdd by Molmil
Apo-structure of humanised RadA-mutant humRadA22
Descriptor: DNA repair and recombination protein RadA, SULFATE ION
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-06-08
Release date:2016-10-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
7ZT6
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BU of 7zt6 by Molmil
Cryo-EM structure of Ku 70/80 bound to inositol hexakisphosphate
Descriptor: INOSITOL HEXAKISPHOSPHATE, X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
Authors:Kefala Stavridi, A, Chaplin, A.K, Blundell, T.L.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
1K9Z
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BU of 1k9z by Molmil
The PAPase Hal2p complexed with zinc ions
Descriptor: BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ZINC ION
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hal2p: Ion selectivity and implications on inhibition mechanism
To be Published
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:2024-01-10
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

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