1SVZ
 
 | | Crystal structure of the single-chain Fv fragment 1696 in complex with the epitope peptide corresponding to N-terminus of HIV-2 protease | | Descriptor: | epitope peptide corresponding to N-terminus of HIV-2 protease, single-chain Fv fragment 1696 | | Authors: | Rezacova, P, Brynda, J, Lescar, J, Bentley, G.A, Fabry, M, Horejsi, M, Sedlacek, J. | | Deposit date: | 2004-03-30 | | Release date: | 2005-03-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of a cross-reaction complex between an anti-HIV-1 protease antibody and an HIV-2 protease peptide
J.Struct.Biol., 149, 2005
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4HHJ
 | | Dengue serotype 3 RNA-dependent RNA polymerase | | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Non-structural protein 5, ... | | Authors: | Noble, C.G, Lescar, J. | | Deposit date: | 2012-10-10 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Conformational flexibility of the Dengue virus RNA-dependent RNA polymerase revealed by a complex with an inhibitor
J.Virol., 87, 2013
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5WYQ
 | | Crystal Structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W, McBee, M.E, Maenpuen, S, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M, Chaiyen, P. | | Deposit date: | 2017-01-15 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 2019
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5WYR
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | SINEFUNGIN, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2017-01-15 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 2019
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4UQ3
 | | Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide | | Descriptor: | AZOBENZENE-CONTAINING PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Thong, S.Y, Yap, J.W, Lim, P.Y, Verhelst, S.H, Lescar, J, Meijers, R, Grotenbreg, G.M. | | Deposit date: | 2014-06-19 | | Release date: | 2014-09-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bioorthogonal cleavage and exchange of major histocompatibility complex ligands by employing azobenzene-containing peptides.
Angew. Chem. Int. Ed. Engl., 53, 2014
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4UQ2
 | | Crystal structure of HLA-A1101 in complex with an azobenzene- containing peptide | | Descriptor: | AZOBENZENE-CONTAINING PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Thong, S.Y, Yap, J.W, Lim, P.Y, Verhelst, S.H, Lescar, J, Meijers, R, Grotenbreg, G.M. | | Deposit date: | 2014-06-19 | | Release date: | 2014-09-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Bioorthogonal Cleavage and Exchange of Major Histocompatibility Complex Ligands by Employing Azobenzene-Containing Peptides.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6XD0
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-434 | | Descriptor: | 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Arora, R, Benson, T.E, Liew, C.W, Lescar, J. | | Deposit date: | 2020-06-09 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
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6XD1
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-640 | | Descriptor: | (2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid, RNA-dependent RNA polymerase, ZINC ION | | Authors: | Arora, R, Benson, T.E, Liew, C.W, Lescar, J. | | Deposit date: | 2020-06-09 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
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4URG
 | | Crystal Structure of GGDEF domain from T.maritima (active-like dimer) | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIGUANYLATE CYCLASE | | Authors: | Deepthi, A, Liew, C.W, Liang, Z.X, Swaminathan, K, Lescar, J. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
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4URQ
 | | Crystal Structure of GGDEF domain (I site mutant) from T.maritima | | Descriptor: | DIGUANYLATE CYCLASE | | Authors: | Deepthi, A, Liew, C.W, Liang, Z.X, Swamianthan, K, Lescar, J. | | Deposit date: | 2014-07-01 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
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4S2Q
 | | Crystal Structure of HMG domain of the chondrogenesis master regulator, Sox9 in complex with ChIP-Seq identified DNA element | | Descriptor: | DNA (5'-D(P*AP*GP*GP*AP*GP*AP*AP*CP*AP*AP*AP*GP*CP*CP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*CP*TP*TP*TP*GP*TP*TP*CP*TP*CP*CP*TP*G)-3'), Transcription factor SOX-9 | | Authors: | Vivekanandan, S, Moovarkumudalvan, B, Lescar, J, Kolatkar, P.R. | | Deposit date: | 2015-01-21 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of HMG domain of the chondrogenesis master regulator, Sox9 in complex with ChIP-Seq identified DNA element
To be Published
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2WHX
 | | A second conformation of the NS3 protease-helicase from dengue virus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Luo, D, Lescar, J. | | Deposit date: | 2009-05-07 | | Release date: | 2010-04-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Flexibility between the Protease and Helicase Domains of the Dengue Virus Ns3 Protein Conferred by the Linker Region and its Functional Implications.
J.Biol.Chem., 285, 2010
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5WS8
 | | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate | | Descriptor: | MAGNESIUM ION, OXALATE ION, Pyruvate kinase | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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5WSB
 | | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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5WRP
 | | T-state crystal structure of pyruvate kinase from Mycobacterium tuberculosis | | Descriptor: | PHOSPHATE ION, Pyruvate kinase | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-02 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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5WSA
 | | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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5WSC
 | | Crystal of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, soaked with allosteric activators AMP and Glucose 6-Phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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5WS9
 | | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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3SY8
 | | Crystal structure of the response regulator RocR | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, RocR | | Authors: | Chen, M.W, Kotaka, M, Vonrhein, C, Bricogne, G, Lescar, J. | | Deposit date: | 2011-07-16 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the regulatory mechanism of the response regulator RocR from Pseudomonas aeruginosa in cyclic Di-GMP signaling.
J.Bacteriol., 194, 2012
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5DTO
 | | Dengue virus full length NS5 complexed with viral Cap 0-RNA and SAH | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Zhao, Y, Soh, T.S, Lim, S.P, Chung, K.Y, Swaminathan, K, Vasudevan, S.G, Shi, P.-Y, Lescar, J, Luo, D. | | Deposit date: | 2015-09-18 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Molecular basis for specific viral RNA recognition and 2'-O-ribose methylation by the dengue virus nonstructural protein 5 (NS5)
Proc.Natl.Acad.Sci.USA, 112, 2015
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3VWS
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-107 | | Descriptor: | 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, Non-structural protein 5, ... | | Authors: | Noble, C.G, Lescar, J. | | Deposit date: | 2012-08-31 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational flexibility of the Dengue virus RNA-dependent RNA polymerase revealed by a complex with an inhibitor
J.Virol., 87, 2013
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3NI6
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7VPE
 | | Falcilysin in complex with A1 | | Descriptor: | (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2021-10-16 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Title is not available yet as we are preparing the manuscript. Will update again once the paper is out.
To Be Published
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8W7H
 | | Purine Nucleoside Phosphorylase in complex with MMV000848 | | Descriptor: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | Authors: | Chung, Z, Lin, J.Q, Lescar, J. | | Deposit date: | 2023-08-30 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification and structural validation of purine nucleoside phosphorylase from Plasmodium falciparum as a target of MMV000848.
J.Biol.Chem., 300, 2023
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6LD1
 | | Zika NS5 polymerase domain | | Descriptor: | 1,2-ETHANEDIOL, RNA-directed RNA polymerase NS5, ZINC ION | | Authors: | El Sahili, A, Lescar, J. | | Deposit date: | 2019-11-20 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
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