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PDB: 518 件

5O0D
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-Phenoxymandelic acid (Fragment 4)
分子名称: (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5PEP
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X-RAY ANALYSES OF ASPARTIC PROTEASES. II. THREE-DIMENSIONAL STRUCTURE OF THE HEXAGONAL CRYSTAL FORM OF PORCINE PEPSIN AT 2.3 ANGSTROMS RESOLUTION
分子名称: PEPSIN
著者Cooper, J.B, Khan, G, Taylor, G, Tickle, I.J, Blundell, T.L.
登録日1990-05-30
公開日1990-07-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献X-ray analyses of aspartic proteinases. II. Three-dimensional structure of the hexagonal crystal form of porcine pepsin at 2.3 A resolution.
J.Mol.Biol., 214, 1990
5CT3
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The structure of the NK1 fragment of HGF/SF complexed with 2FA
分子名称: 3-hydroxypropane-1-sulfonic acid, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1URF
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HR1b domain from PRK1
分子名称: PROTEIN KINASE C-LIKE 1
著者Owen, D, Lowe, P.N, Nietlispach, D, Brosnan, C.E, Chirgadze, D.Y, Parker, P.J, Blundell, T.L, Mott, H.R.
登録日2003-10-29
公開日2003-11-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular Dissection of the Interaction between the Small G Proteins Rac1 and Rhoa and Protein Kinase C-Related Kinase 1 (Prk1)
J.Biol.Chem., 278, 2003
5FOT
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HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTU TETRAPEPTIDE
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTU PEPTIDE, PHOSPHATE ION
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.189 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
4H7X
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Crystal structure of the tetratricopeptide repeat (TPR) motif of human dual specificity protein kinase Mps1
分子名称: Dual specificity protein kinase TTK, LEAD (II) ION
著者Bolanos-Garcia, V.M, Chirgadze, D.Y, Blundell, T.L.
登録日2012-09-21
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional insights into the role of the N-terminal Mps1 TPR domain in the SAC (spindle assembly checkpoint).
Biochem.J., 448, 2012
5FOU
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HUMANISED MONOMERIC RADA IN COMPLEX WITH FHPA TETRAPEPTIDE
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHPA PEPTIDE, PHOSPHATE ION
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5FOX
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HUMANISED MONOMERIC RADA IN COMPLEX WITH FHAA TETRAPEPTIDE
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHAA PEPTIDE, GLYCEROL, ...
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5FOW
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HUMANISED MONOMERIC RADA IN COMPLEX WITH WHTA TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, PHOSPHATE ION, WHTA PEPTIDE
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5FOV
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HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTG TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, FHTG PEPTIDE, GLYCEROL, ...
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
1EPL
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A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA
分子名称: ENDOTHIAPEPSIN, PS1, PRO-LEU-GLU-PSA-ARG-LEU
著者Al-Karadaghi, S, Cooper, J.B, Strop, P, Blundell, T.L.
登録日1994-07-27
公開日1994-12-20
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
4H7Y
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Crystal structure of the tetratricopeptide repeat (TPR) motif of human dual specificity protein kinase Mps1
分子名称: Dual specificity protein kinase TTK
著者Bolanos-Garcia, V.M, Chirgadze, D.Y, Blundell, T.L.
登録日2012-09-21
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional insights into the role of the N-terminal Mps1 TPR domain in the SAC (spindle assembly checkpoint).
Biochem.J., 448, 2012
4EF6
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BU of 4ef6 by Molmil
Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with fragment 1
分子名称: 1,2-ETHANEDIOL, 3-(1,3-benzodioxol-5-yl)propanoic acid, ETHANOL, ...
著者Silvestre, H.L, Ciulli, A, Abell, C, Blundell, T.
登録日2012-03-29
公開日2013-03-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.94 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
4MUK
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Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-22
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
3V42
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Crystal structure of renal tumor suppressor protein, folliculin
分子名称: Folliculin
著者Nookala, R.K, Chirgadze, D.Y, Blundell, T.L.
登録日2011-12-14
公開日2012-08-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of folliculin reveals a hidDENN function in genetically inherited renal cancer.
Open Biol, 2, 2012
1QIA
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BU of 1qia by Molmil
CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN
分子名称: CALCIUM ION, STROMELYSIN-1, ZINC ION
著者Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V.
登録日1999-06-11
公開日2003-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
1QIC
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CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN
分子名称: CALCIUM ION, PROTEIN (STROMELYSIN-1), ZINC ION
著者Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V.
登録日1999-06-11
公開日2003-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999
4MQ6
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Pantothenate synthase in complex with 2-(5-methoxy-2-(tosylcarbamoyl)-1H-indol-1-yl)acetic acid
分子名称: (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-15
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUH
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Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-21
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUE
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Crystal strcture of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-21
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4KIJ
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Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid]
分子名称: 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
4KLX
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Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation.
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydrofolate reductase
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-07
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4MUG
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Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(morpholinosulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-21
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4KNE
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Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-09
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4KM0
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Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with pyrimethamine
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-07
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014

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