Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 496 件
5EZG
DownloadVisualize
BU of 5ezg by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-26
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F0H
DownloadVisualize
BU of 5f0h by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution
分子名称: 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F1J
DownloadVisualize
BU of 5f1j by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 1 at 1.63A resolution
分子名称: 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one, HTH-type transcriptional regulator EthR
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-30
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5OU1
DownloadVisualize
BU of 5ou1 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844)
分子名称: (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5OU3
DownloadVisualize
BU of 5ou3 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080)
分子名称: (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5F0C
DownloadVisualize
BU of 5f0c by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 4 at 1.87A resolution
分子名称: 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide, HTH-type transcriptional regulator EthR, SULFATE ION
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
1BBS
DownloadVisualize
BU of 1bbs by Molmil
X-RAY ANALYSES OF PEPTIDE INHIBITOR COMPLEXES DEFINE THE STRUCTURAL BASIS OF SPECIFICITY FOR HUMAN AND MOUSE RENINS
分子名称: RENIN
著者Dhanaraj, V, Blundell, T.L.
登録日1992-05-21
公開日1994-01-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray analyses of peptide-inhibitor complexes define the structural basis of specificity for human and mouse renins.
Nature, 357, 1992
5EZH
DownloadVisualize
BU of 5ezh by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 21 at 1.7A resolution
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-26
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F0F
DownloadVisualize
BU of 5f0f by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 15 at 1.76A resolution
分子名称: 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile, HTH-type transcriptional regulator EthR, SULFATE ION
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F27
DownloadVisualize
BU of 5f27 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 2 at 1.68A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-12-01
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F04
DownloadVisualize
BU of 5f04 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 3 at 1.84A resolution
分子名称: 1,2-ETHANEDIOL, 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one, GLYCEROL, ...
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
4KM2
DownloadVisualize
BU of 4km2 by Molmil
Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation in complex with trimethoprim
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase, TRIMETHOPRIM
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 (1.4 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
1SSO
DownloadVisualize
BU of 1sso by Molmil
SOLUTION STRUCTURE AND DNA-BINDING PROPERTIES OF A THERMOSTABLE PROTEIN FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS
分子名称: SSO7D
著者Baumann, H, Knapp, S, Lundback, T, Ladenstein, R, Hard, T.
登録日1995-03-31
公開日1995-05-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and DNA-binding properties of a thermostable protein from the archaeon Sulfolobus solfataricus.
Nat.Struct.Biol., 1, 1994
4KM0
DownloadVisualize
BU of 4km0 by Molmil
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
4KLX
DownloadVisualize
BU of 4klx by Molmil
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
4KNE
DownloadVisualize
BU of 4kne by Molmil
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
1YYH
DownloadVisualize
BU of 1yyh by Molmil
Crystal structure of the human Notch 1 ankyrin domain
分子名称: Notch 1, ankyrin domain
著者Ehebauer, M.T, Chirgadze, D.Y, Hayward, P, Martinez-Arias, A, Blundell, T.L.
登録日2005-02-25
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献High-resolution crystal structure of the human Notch 1 ankyrin domain
Biochem.J., 392, 2005
1CAQ
DownloadVisualize
BU of 1caq by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY
分子名称: 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ...
著者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.
登録日1999-02-23
公開日1999-07-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 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
1RHG
DownloadVisualize
BU of 1rhg by Molmil
THE STRUCTURE OF GRANULOCYTE-COLONY-STIMULATING FACTOR AND ITS RELATIONSHIP TO THOSE OF OTHER GROWTH FACTORS
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Hill, C.P, Osslund, T.D, Eisenberg, D.
登録日1993-01-29
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of granulocyte-colony-stimulating factor and its relationship to other growth factors.
Proc.Natl.Acad.Sci.USA, 90, 1993
5CP9
DownloadVisualize
BU of 5cp9 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MB605
分子名称: 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic 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2015-07-21
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 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
3KVU
DownloadVisualize
BU of 3kvu by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA
分子名称: ACETYL COENZYME *A, Fluoroacetyl-CoA thioesterase FlK
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-30
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
3WTF
DownloadVisualize
BU of 3wtf by Molmil
Structure of PAXX
分子名称: Uncharacterized protein C9orf142
著者Ochi, T, Blundell, T.L.
登録日2014-04-09
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.451 Å)
主引用文献DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair.
Science, 347, 2015
5COE
DownloadVisualize
BU of 5coe by Molmil
The structure of the NK1 fragment of HGF/SF complexed with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Ascher, D.B, Chirgadze, D.Y, Blundell, T.L, Gherardi, E.
登録日2015-07-20
公開日2015-08-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.18 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
3KVI
DownloadVisualize
BU of 3kvi by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate
分子名称: Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-30
公開日2010-04-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
3KVZ
DownloadVisualize
BU of 3kvz by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thiesterase FlK - wild type FlK in complex with FAcCPan
分子名称: (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-30
公開日2010-04-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010

227111

件を2024-11-06に公開中

PDB statisticsPDBj update infoContact PDBjnumon