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PDB: 474 件
4Y18
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Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide
分子名称: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
著者Wu, Q, Blundell, T.L.
登録日2015-02-06
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
4Y2G
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Structure of BRCA1 BRCT domains in complex with Abraxas single phosphorylated peptide
分子名称: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
著者Wu, Q, Blundell, T.L.
登録日2015-02-09
公開日2016-01-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites.
Mol.Cell, 61, 2016
4FZJ
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BU of 4fzj by Molmil
Pantothenate synthetase in complex with 1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, ETHANOL, ...
著者Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A.
登録日2012-07-06
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G5F
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Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID
分子名称: (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ...
著者Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A.
登録日2012-07-17
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
5ER2
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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
分子名称: 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
著者Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L.
登録日1991-01-02
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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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A rational approach to the design of antihypertensives. X-ray studies of complexes between aspartic proteinases and aminoalcohol renin inhibitors
分子名称: ENDOTHIAPEPSIN, methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate
著者Cooper, J.B, Foundling, S.I, Blundell, T.L.
登録日1990-11-07
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
6HXT
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Crystal structure of the head domain of human CCDC61
分子名称: Coiled-coil domain-containing protein 61
著者Ochi, T, Blundell, T.L, van Breugel, M.
登録日2018-10-18
公開日2020-04-29
最終更新日2020-06-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献CCDC61/VFL3 Is a Paralog of SAS6 and Promotes Ciliary Functions.
Structure, 28, 2020
2ER9
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X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
分子名称: ENDOTHIAPEPSIN, L363,564
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER7
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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
分子名称: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
著者Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-11-12
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
2ER0
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X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
分子名称: ENDOTHIAPEPSIN, L364,099
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
4ER4
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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
分子名称: ENDOTHIAPEPSIN, H-142
著者Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
7AXZ
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Ku70/80 complex apo form
分子名称: X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
著者Hnizda, A, Tesina, P, Novak, P, Blundell, T.L.
登録日2020-11-10
公開日2021-02-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SAP domain forms a flexible part of DNA aperture in Ku70/80.
Febs J., 288, 2021
2ER6
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The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
分子名称: ENDOTHIAPEPSIN, H-256 peptide
著者Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
登録日1990-10-13
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
4UQO
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RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ...
著者Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2014-06-24
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
3ER5
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THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, H-189
著者Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
4ER1
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THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: 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
著者Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-10-14
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
4ER2
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The active site of aspartic proteinases
分子名称: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
著者Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
2BF9
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Anisotropic refinement of avian (turkey) pancreatic polypeptide at 0. 99 Angstroms resolution.
分子名称: PANCREATIC HORMONE, ZINC ION
著者Tickle, I, Glover, I, Pitts, J, Wood, S, Blundell, T.L.
登録日2004-12-06
公開日2004-12-08
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Conformational Flexibility in a Small Globular Hormone. X-Ray Analysis of Avian Pancreatic Polypeptide at 0.98 Angstroms Resolution
Biopolymers, 22, 1983
8OW5
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Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 5-methoxy-1H-indole-2-carboxylic acid
分子名称: 5-methoxy-1H-indole-2-carboxylic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWB
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Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWP
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Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(4-hydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWQ
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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
分子名称: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWR
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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
分子名称: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.439 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
1ER8
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THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: Endothiapepsin, H-77
著者Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L.
登録日1989-10-16
公開日1991-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
7ZT6
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Cryo-EM structure of Ku 70/80 bound to inositol hexakisphosphate
分子名称: INOSITOL HEXAKISPHOSPHATE, X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
著者Kefala Stavridi, A, Chaplin, A.K, Blundell, T.L.
登録日2022-05-09
公開日2023-05-17
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023

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