Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4CZX
DownloadVisualize
BU of 4czx by Molmil
Complex of Neurospora crassa PAN2 (WD40) with PAN3 (C-TERM)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2, ...
著者Jonas, S, Izaurralde, E, Weichenrieder, O.
登録日2014-04-22
公開日2014-06-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay.
Nat.Struct.Mol.Biol., 21, 2014
7Q1P
DownloadVisualize
BU of 7q1p by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
7Q1O
DownloadVisualize
BU of 7q1o by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
2DE8
DownloadVisualize
BU of 2de8 by Molmil
Crystal structure of porcine pancreatic elastase with a unique conformation induced by Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Elastase-1
著者Kinoshita, T, Tada, T.
登録日2006-02-09
公開日2006-07-11
最終更新日2020-09-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Tris(hydroxymethyl)aminomethane induces conformational change and crystal-packing contraction of porcine pancreatic elastase.
Acta Crystallogr.,Sect.F, 62, 2006
6TBX
DownloadVisualize
BU of 6tbx by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with a tricyclic-based inhibitor
分子名称: 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol, ACETATE ION, GLYCEROL, ...
著者Landi, G, Tassone, G, Pozzi, C, Mangani, S.
登録日2019-11-04
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High-resolution crystal structure of Trypanosoma brucei pteridine reductase 1 in complex with an innovative tricyclic-based inhibitor.
Acta Crystallogr D Struct Biol, 76, 2020
5X6F
DownloadVisualize
BU of 5x6f by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Pseudomonas aeruginosa
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Phosphopantetheine adenylyltransferase
著者Mondal, A, Chatterjee, R, Datta, S.
登録日2017-02-21
公開日2018-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Umbrella Sampling and X-ray Crystallographic Analysis Unveil an Arg-Asp Gate Facilitating Inhibitor Binding Inside Phosphopantetheine Adenylyltransferase Allosteric Cleft.
J Phys Chem B, 122, 2018
5V49
DownloadVisualize
BU of 5v49 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)
分子名称: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2017-03-08
公開日2017-07-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Optimization of a binding fragment targeting the "enlarged methionine pocket" leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4MWD
DownloadVisualize
BU of 4mwd by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW9
DownloadVisualize
BU of 4mw9 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478)
分子名称: 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWB
DownloadVisualize
BU of 4mwb by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509)
分子名称: 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MVX
DownloadVisualize
BU of 4mvx by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWC
DownloadVisualize
BU of 4mwc by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540)
分子名称: 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW0
DownloadVisualize
BU of 4mw0 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW5
DownloadVisualize
BU of 4mw5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415)
分子名称: 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MVW
DownloadVisualize
BU of 4mvw by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWE
DownloadVisualize
BU of 4mwe by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475)
分子名称: 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW4
DownloadVisualize
BU of 4mw4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473)
分子名称: 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW2
DownloadVisualize
BU of 4mw2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
分子名称: 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW7
DownloadVisualize
BU of 4mw7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469)
分子名称: 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW6
DownloadVisualize
BU of 4mw6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1476)
分子名称: 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MVY
DownloadVisualize
BU of 4mvy by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387)
分子名称: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MW1
DownloadVisualize
BU of 4mw1 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444)
分子名称: 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4PKL
DownloadVisualize
BU of 4pkl by Molmil
Bromodomain of Trypanosoma brucei BDF2 With IBET-151
分子名称: 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, Bromodomain factor 2, CHLORIDE ION, ...
著者Debler, E.W.
登録日2014-05-15
公開日2015-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Bromodomain Proteins Contribute to Maintenance of Bloodstream Form Stage Identity in the African Trypanosome.
Plos Biol., 13, 2015
5JCX
DownloadVisualize
BU of 5jcx by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor NP-29
分子名称: 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
著者Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S.
登録日2016-04-15
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
4WCF
DownloadVisualize
BU of 4wcf by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 9
分子名称: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017

221371

件を2024-06-19に公開中

PDB statisticsPDBj update infoContact PDBjnumon