Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4I72
DownloadVisualize
BU of 4i72 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with Immucillin A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, CALCIUM ION, ...
Authors:Giannese, F, Degano, M.
Deposit date:2012-11-30
Release date:2013-08-07
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
4I75
DownloadVisualize
BU of 4i75 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with the NiTris metalorganic complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Inosine-adenosine-guanosine-nucleoside hydrolase, ...
Authors:Giannese, F, Degano, M.
Deposit date:2012-11-30
Release date:2013-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
4COH
DownloadVisualize
BU of 4coh by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the sulfonamide derivative of the 4-aminopyridyl-based inhibitor
Descriptor: 2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Vieira, D.F, Choi, J.Y, Roush, W.R, Podust, L.M.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Expanding the Binding Envelope of Cyp51 Inhibitors Targeting Trypanosoma Cruzi with 4-Aminopyridyl-Based Sulfonamide Derivatives
Chembiochem, 15, 2014
5S9V
DownloadVisualize
BU of 5s9v by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434826
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA3
DownloadVisualize
BU of 5sa3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
6X4L
DownloadVisualize
BU of 6x4l by Molmil
PANK3 complex structure with compound PZ-3565
Descriptor: 1,2-ETHANEDIOL, 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one, CHLORIDE ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-22
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators.
Bioorg.Med.Chem., 52, 2021
6X4K
DownloadVisualize
BU of 6x4k by Molmil
PANK3 complex structure with compound PZ-2890
Descriptor: 1,2-ETHANEDIOL, 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide, CHLORIDE ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-22
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators.
Bioorg.Med.Chem., 52, 2021
6X4J
DownloadVisualize
BU of 6x4j by Molmil
PANK3 complex structure with compound PZ-2863
Descriptor: 1,2-ETHANEDIOL, 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-22
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators.
Bioorg.Med.Chem., 52, 2021
6B3V
DownloadVisualize
BU of 6b3v by Molmil
PANK3 complex with compound PZ-2891
Descriptor: 1,2-ETHANEDIOL, 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2017-09-25
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:A therapeutic approach to pantothenate kinase associated neurodegeneration.
Nat Commun, 9, 2018
5KPR
DownloadVisualize
BU of 5kpr by Molmil
PANK3-AMPPNP-Pantothenate complex
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PANTOTHENOIC ACID, ...
Authors:White, S.W, Yun, M.
Deposit date:2016-07-05
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.827 Å)
Cite:Allosteric Regulation of Mammalian Pantothenate Kinase.
J.Biol.Chem., 291, 2016
2PTA
DownloadVisualize
BU of 2pta by Molmil
PANDINUS TOXIN K-A (PITX-KA) FROM PANDINUS IMPERATOR, NMR, 20 STRUCTURES
Descriptor: PANDINUS TOXIN K-ALPHA
Authors:Tenenholz, T.C, Rogowski, R.S, Collins, J.H, Blaustein, M.P, Weber, D.J.
Deposit date:1996-11-26
Release date:1997-12-10
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure for Pandinus toxin K-alpha (PiTX-K alpha), a selective blocker of A-type potassium channels.
Biochemistry, 36, 1997
5SA0
DownloadVisualize
BU of 5sa0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1506050651
Descriptor: (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9U
DownloadVisualize
BU of 5s9u by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z32327641
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
6Q1X
DownloadVisualize
BU of 6q1x by Molmil
Lasso peptide pandonodin
Descriptor: Pandonodin
Authors:Link, A.J, Cheung-Lee, W.L.
Deposit date:2019-08-06
Release date:2019-12-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Pandonodin: A Proteobacterial Lasso Peptide with an Exceptionally Long C-Terminal Tail.
Acs Chem.Biol., 14, 2019
6W90
DownloadVisualize
BU of 6w90 by Molmil
De novo designed NTF2 fold protein NT-9
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9
Authors:Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T.
Deposit date:2020-03-21
Release date:2020-08-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
2GEV
DownloadVisualize
BU of 2gev by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (LT)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Pantothenate kinase, ...
Authors:Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M.
Deposit date:2006-03-20
Release date:2006-06-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
5LGE
DownloadVisualize
BU of 5lge by Molmil
Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032
Descriptor: 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ...
Authors:Hillig, R.C, Hars, U, Korndoerfer, I.P.
Deposit date:2016-07-07
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo.
Acta Neuropathol., 133, 2017
3Q10
DownloadVisualize
BU of 3q10 by Molmil
Pantoate-beta-alanine ligase from Yersinia pestis
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Osipiuk, J, Maltseva, N, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-16
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Pantoate-beta-alanine ligase from Yersinia pestis.
To be Published
6APT
DownloadVisualize
BU of 6apt by Molmil
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
Descriptor: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
Authors:Teran, D, Guddat, L.W.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
4ZT3
DownloadVisualize
BU of 4zt3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT4
DownloadVisualize
BU of 4zt4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitorN-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1708)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT7
DownloadVisualize
BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT2
DownloadVisualize
BU of 4zt2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT6
DownloadVisualize
BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
Descriptor: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT5
DownloadVisualize
BU of 4zt5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655)
Descriptor: (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016

221716

PDB entries from 2024-06-26

PDB statisticsPDBj update infoContact PDBjnumon