Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
6MJY
DownloadVisualize
BU of 6mjy by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
Descriptor: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-09-23
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
5OU1
DownloadVisualize
BU of 5ou1 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844)
Descriptor: (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2017-08-23
Release date:2018-03-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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)
Descriptor: (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
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2017-08-23
Release date:2018-03-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5OU2
DownloadVisualize
BU of 5ou2 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744)
Descriptor: 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2017-08-23
Release date:2018-03-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
6D4V
DownloadVisualize
BU of 6d4v by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 22 (VCC061422)
Descriptor: 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4R
DownloadVisualize
BU of 6d4r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4U
DownloadVisualize
BU of 6d4u by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664)
Descriptor: 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4W
DownloadVisualize
BU of 6d4w by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)
Descriptor: 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4T
DownloadVisualize
BU of 6d4t by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054)
Descriptor: (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4S
DownloadVisualize
BU of 6d4s by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4Q
DownloadVisualize
BU of 6d4q by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
4ZY8
DownloadVisualize
BU of 4zy8 by Molmil
K. lactis Lst4 longin domain
Descriptor: Protein LST4
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2015-05-21
Release date:2016-04-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Lst4, the yeast Fnip1/2 orthologue, is a DENN-family protein.
Open Biology, 5, 2015
5K4X
DownloadVisualize
BU of 5k4x by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 1
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2016-05-22
Release date:2016-10-19
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
5LUQ
DownloadVisualize
BU of 5luq by Molmil
Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs)
Descriptor: C-terminal fragment of KU80 (KU80ct194), DNA-dependent protein kinase catalytic subunit,DNA-dependent Protein Kinase Catalytic Subunit,DNA-dependent protein kinase catalytic subunit
Authors:Sibanda, B.L, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L.
Deposit date:2016-09-09
Release date:2017-02-15
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair.
Science, 355, 2017
5J5R
DownloadVisualize
BU of 5j5r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2016-04-03
Release date:2016-10-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
ACS Infect Dis, 3, 2017
5K4Z
DownloadVisualize
BU of 5k4z by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 6
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide
Authors:Pacitto, A, Ascher, D.B, Blundell, T.L.
Deposit date:2016-05-22
Release date:2016-10-19
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
4GEI
DownloadVisualize
BU of 4gei by Molmil
N-terminal domain of VDUP-1
Descriptor: Thioredoxin-interacting protein
Authors:Polekhina, G, Kok, S.F, Ascher, D.B, Waltham, M.
Deposit date:2012-08-02
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the N-terminal domain of human thioredoxin-interacting protein.
Acta Crystallogr.,Sect.D, 69, 2013
4GEJ
DownloadVisualize
BU of 4gej by Molmil
N-terminal domain of VDUP-1
Descriptor: CALCIUM ION, Thioredoxin-interacting protein
Authors:Polekhina, G, Kok, S.F, Ascher, D.B, Waltham, M.
Deposit date:2012-08-02
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the N-terminal domain of human thioredoxin-interacting protein.
Acta Crystallogr.,Sect.D, 69, 2013
6Q4Z
DownloadVisualize
BU of 6q4z by Molmil
Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose
Descriptor: LmxM MPT-2 D94N, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Kloehn, J, Viera-Lara, M, Stanton, L, Cobbold, S, Pires, D.E, Hanssen, E, Parker, M.W, Ascher, D.B, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
4P8Q
DownloadVisualize
BU of 4p8q by Molmil
Crystal Structure of Human Insulin Regulated Aminopeptidase with Alanine in Active Site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucyl-cystinyl aminopeptidase, ...
Authors:Hermans, S.J, Ascher, D.B, Hancock, N.C, Holien, J.K, Michell, B, Morton, C.J, Parker, M.W.
Deposit date:2014-03-31
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides.
Protein Sci., 24, 2015
4PJ6
DownloadVisualize
BU of 4pj6 by Molmil
Crystal Structure of Human Insulin Regulated Aminopeptidase with Lysine in Active Site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSINE, ...
Authors:Hermans, S.J, Ascher, D.B, Hancock, N.C, Holien, J.K, Michell, B, Morton, C.J, Parker, M.W.
Deposit date:2014-05-12
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides.
Protein Sci., 24, 2015
5CP9
DownloadVisualize
BU of 5cp9 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MB605
Descriptor: 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic 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:2015-07-21
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 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
5COE
DownloadVisualize
BU of 5coe by Molmil
The structure of the NK1 fragment of HGF/SF complexed with HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor
Authors:Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Ascher, D.B, Chirgadze, D.Y, Blundell, T.L, Gherardi, E.
Deposit date:2015-07-20
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 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
5CSQ
DownloadVisualize
BU of 5csq by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MOPS
Descriptor: 3[N-MORPHOLINO]PROPANE 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 (1.95 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
5CS9
DownloadVisualize
BU of 5cs9 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC 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

 

123>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon