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4URS
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BU of 4urs by Molmil
Crystal Structure of GGDEF domain from T.maritima
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:2014-07-02
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
4URQ
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BU of 4urq by Molmil
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
4URG
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BU of 4urg by Molmil
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
4UQ3
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BU of 4uq3 by Molmil
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
4UQ2
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BU of 4uq2 by Molmil
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
6XD1
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BU of 6xd1 by Molmil
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:2021-10-06
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
6XD0
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BU of 6xd0 by Molmil
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:2021-10-06
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
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
Authors:Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
Deposit date:2022-05-30
Release date:2022-09-14
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
4S2Q
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BU of 4s2q by Molmil
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
3SY8
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BU of 3sy8 by Molmil
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
3VWS
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BU of 3vws by Molmil
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
7VPE
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BU of 7vpe by Molmil
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
1JMS
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BU of 1jms by Molmil
Crystal Structure of the Catalytic Core of Murine Terminal Deoxynucleotidyl Transferase
Descriptor: MAGNESIUM ION, SODIUM ION, TERMINAL DEOXYNUCLEOTIDYLTRANSFERASE
Authors:Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Sukumar, N, Jourdan, N, Rougeon, F, Papanicolaou, C.
Deposit date:2001-07-19
Release date:2002-01-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase.
Embo J., 21, 2002
2P26
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BU of 2p26 by Molmil
Structure of the PHE2 and PHE3 fragments of the integrin beta2 subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:Shi, M, Foo, S.Y, Tan, S.M, Mitchell, E.P, Law, S.K.A, Lescar, J.
Deposit date:2007-03-06
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A structural hypothesis for the transition between bent and extended conformations of the leukocyte beta2 integrins
J.Biol.Chem., 282, 2007
2WHX
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BU of 2whx by Molmil
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:2011-07-13
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
2WZQ
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BU of 2wzq by Molmil
Insertion Mutant E173GP174 of the NS3 protease-helicase from dengue virus
Descriptor: CHLORIDE ION, GLYCEROL, NS3 PROTEASE-HELICASE
Authors:Luo, D, Wei, N, Doan, D, Paradkar, P, Chong, Y, Davidson, A, Kotaka, M, Lescar, J, Vasudevan, S.
Deposit date:2009-12-02
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 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
5GM8
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BU of 5gm8 by Molmil
Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa
Descriptor: SINEFUNGIN, tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
Authors:Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
Deposit date:2016-07-13
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
5GMC
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BU of 5gmc by Molmil
Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa
Descriptor: tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
Authors:Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
Deposit date:2016-07-13
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
5GMB
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BU of 5gmb by Molmil
Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa
Descriptor: tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
Authors:Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
Deposit date:2016-07-13
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
2M1C
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BU of 2m1c by Molmil
HADDOCK structure of GtYybT PAS Homodimer
Descriptor: DHH subfamily 1 protein
Authors:Liang, Z.X, Pervushin, K, Tan, E, Rao, F, Pasunooti, S, Soehano, I, Lescar, J.
Deposit date:2012-11-25
Release date:2013-03-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of the PAS Domain of a Thermophilic YybT Protein Homolog Reveals a Potential Ligand-binding Site.
J.Biol.Chem., 288, 2013
4HHJ
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BU of 4hhj by Molmil
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
2XFL
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BU of 2xfl by Molmil
Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase
Descriptor: DYNE7
Authors:Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Sun, H, Bricogne, G, Liang, Z, Lescar, J.
Deposit date:2010-05-26
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis.
J.Mol.Biol., 404, 2010
2XEM
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BU of 2xem by Molmil
Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase
Descriptor: (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one, DYNE7
Authors:Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Bricogne, G, Liang, Z.X, Lescar, J.
Deposit date:2010-05-17
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis.
J.Mol.Biol., 404, 2010
2P28
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BU of 2p28 by Molmil
Structure of the PHE2 and PHE3 fragments of the integrin beta2 subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:Shi, M, Foo, S.Y, Tan, S.M, Mitchell, E.P, Law, S.K.A, Lescar, J.
Deposit date:2007-03-07
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A structural hypothesis for the transition between bent and extended conformations of the leukocyte beta2 integrins
J.Biol.Chem., 282, 2007
4JB1
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BU of 4jb1 by Molmil
Crystal structure of P. aeruginosa MurB in complex with NADP+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Chen, M.W, Lohkamp, B, Schnell, R, Lescar, J, Schneider, G.
Deposit date:2013-02-19
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate Channel Flexibility in Pseudomonas aeruginosa MurB Accommodates Two Distinct Substrates.
Plos One, 8, 2013

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