3K80
 
 | | Structure of essential protein from Trypanosoma brucei | | Descriptor: | Antibody, MP18 RNA editing complex protein | | Authors: | Wu, M. | | Deposit date: | 2009-10-13 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of a key interaction protein from the Trypanosoma brucei editosome in complex with single domain antibodies.
J.Struct.Biol., 174, 2011
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7T79
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4D0K
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4OYT
 | | Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid | | Descriptor: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | Deposit date: | 2014-02-13 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
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7QZN
 | | Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+ | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amine Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. | | Deposit date: | 2022-01-31 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
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7DTD
 | | Voltage-gated sodium channel Nav1.1 and beta4 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 1 subunit alpha, ... | | Authors: | Yan, N, Pan, X, Li, Z, Huang, G. | | Deposit date: | 2021-01-04 | | Release date: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Comparative structural analysis of human Na v 1.1 and Na v 1.5 reveals mutational hotspots for sodium channelopathies.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1KXV
 | | Camelid VHH Domains in Complex with Porcine Pancreatic alpha-Amylase | | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CAMELID VHH DOMAIN CAB10 | | Authors: | Desmyter, A, Spinelli, S, Payan, F, Lauwereys, M, Wyns, L, Muyldermans, S, Cambillau, C. | | Deposit date: | 2002-02-01 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Three camelid VHH domains in complex with porcine pancreatic alpha-amylase. Inhibition and versatility of binding topology.
J.Biol.Chem., 277, 2002
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9EST
 | | STRUCTURAL STUDY OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOUMARIN AS A NONREACTIVATABLE DOUBLY COVALENT ENZYME-INHIBITOR COMPLEX | | Descriptor: | (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ... | | Authors: | Radhakrishnan, R, Powers, J.C, Meyer Jr, E.F. | | Deposit date: | 1991-01-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural study of porcine pancreatic elastase complexed with 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin as a nonreactivatable doubly covalent enzyme-inhibitor complex.
Biochemistry, 30, 1991
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4EG6
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325 | | Descriptor: | 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4EG1
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine | | Descriptor: | GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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5NFZ
 | | TUBULIN-MTC complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one, CALCIUM ION, ... | | Authors: | Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F. | | Deposit date: | 2017-03-16 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites.
J. Nat. Prod., 81, 2018
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4EG8
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89 | | Descriptor: | 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4EG4
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289 | | Descriptor: | 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4EGA
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320 | | Descriptor: | 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4EG3
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate | | Descriptor: | GLYCEROL, Methionyl-tRNA synthetase, putative, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4EG5
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1312 | | Descriptor: | 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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1W52
 | | Crystal structure of a proteolyzed form of pancreatic lipase related protein 2 from horse | | Descriptor: | CALCIUM ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, PANCREATIC LIPASE RELATED PROTEIN 2 | | Authors: | Mancheno, J.M, Jayne, S, Kerfelec, B, Chapus, C, Crenon, I, Hermoso, J.A. | | Deposit date: | 2004-08-04 | | Release date: | 2006-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystalization of a Proteolyzed Form of the Horse Pancreatic Lipase-Related Protein 2: Structural Basis for the Specific Detergent Requirement.
Acta Crystallogr.,Sect.D, 60, 2004
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3K81
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3K7U
 | | Structure of essential protein from Trypanosoma brucei | | Descriptor: | Antibody, MP18 RNA editing complex protein | | Authors: | Wu, M. | | Deposit date: | 2009-10-13 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of a key interaction protein from the Trypanosoma brucei editosome in complex with single domain antibodies.
J.Struct.Biol., 174, 2011
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5NFH
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with a quinazolinone inhibitor | | Descriptor: | 2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Robinson, D.A, Eadsforth, T.C, Shepherd, S.M, Torrie, L.S, De Rycker, M, Gilbert, I.H. | | Deposit date: | 2017-03-14 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Chemical Validation of Methionyl-tRNA Synthetase as a Druggable Target in Leishmania donovani.
ACS Infect Dis, 3, 2017
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3I06
 | | Crystal structure of cruzain covalently bound to a purine nitrile | | Descriptor: | 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile, Cruzipain | | Authors: | Ferreira, R.S, Shoichet, B.K, McKerrow, J.H. | | Deposit date: | 2009-06-24 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
J.Med.Chem., 53, 2010
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8ZN2
 | | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution.
To Be Published
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8ZFK
 | | Caenorhabditis elegans ACR-23 in betaine and monepantel bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betaine receptor acr-23,Soluble cytochrome b562, ... | | Authors: | Chen, Q.F, Liu, F.L, Li, T.Y, Gong, H.H, Guo, F, Liu, S. | | Deposit date: | 2024-05-08 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural basis of acetylcholine receptor like-23 (ACR-23) activation by anthelmintics monepantel and betaine
To Be Published
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9BQE
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | | Authors: | Young, K.Y, Fanning, S.W. | | Deposit date: | 2024-05-09 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
To Be Published
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8ZN3
 | | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
To Be Published
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