Author results

6U5O
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STRUCTURE OF THE HUMAN METAPNEUMOVIRUS POLYMERASE BOUND TO THE PHOSPHOPROTEIN TETRAMER
Descriptor:RNA-directed RNA polymerase L, Phosphoprotein
Authors:Pan, J., Qian, X., Lattmann, S., Sahili, A.E., Yeo, T.H., Kalocsay, M., Fearns, R., Lescar, J.
Deposit date:2019-08-28
Release date:2019-09-25
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the human metapneumovirus polymerase phosphoprotein complex.
Nature, 2019
6JOE
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CRYSTAL STRUCTURE OF TRMD FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH ACTIVE-SITE INHIBITOR
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide, PHOSPHATE ION, ...
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2019-03-20
Release date:2019-09-04
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
6JOF
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CRYSTAL STRUCTURE OF TRMD FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH ACTIVE-SITE INHIBITOR
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2019-03-20
Release date:2019-09-04
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
6JKI
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CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF THE ESSENTIAL M1G37 TRNA METHYLTRANSFERASE TRMD FROM PSEUDOMONAS AERUGINOSA
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, SINEFUNGIN, GLYCEROL, ...
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:2019-03-01
Release date:2019-07-03
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
6ITO
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CRYSTAL STRUCTURE OF PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH OXALATE, AMP AND INHIBITOR RIBOSE 5-PHOSPHATE
Descriptor:Pyruvate kinase, MAGNESIUM ION, OXALATE ION, ...
Authors:Zhong, W., Cai, Q., El Sahili, A., Mu, Y., Lescar, J., Dedon, P.C.
Deposit date:2018-11-24
Release date:2019-08-14
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis.
J.Mol.Biol., 431, 2019
6IFJ
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STRUCTURE OF BISPECIFIC FC
Descriptor:Immunoglobulin gamma-1 heavy chain, 13-mer peptide, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Qian, X., Lescar, J., Sasisekahran, R.
Deposit date:2018-09-20
Release date:2019-09-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of bsfc at 2.4 Angstroms resolution
To Be Published
6IDV
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PEPTIDE ASPARAGINYL LIGASES FROM VIOLA YEDOENSIS
Descriptor:Peptide Asparaginyl Ligases, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:El Sahili, A., Hu, S., Lescar, J.
Deposit date:2018-09-11
Release date:2019-05-15
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural determinants for peptide-bond formation by asparaginyl ligases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ID4
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DEFINING THE STRUCTURAL BASIS FOR HUMAN ALLOANTIBODY BINDING TO HUMAN LEUKOCYTE ANTIGEN ALLELE HLA-A*11:01
Descriptor:HLA class I histocompatibility antigen, A-11 alpha chain, Beta-2-microglobulin, ...
Authors:Lescar, J., Wong, Y.H., Liew, C.W., Gu, Y., MacAry, P.A.
Deposit date:2018-09-08
Release date:2019-02-06
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01.
Nat Commun, 10, 2019
6AFK
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CRYSTAL STRUCTURE OF TRMD FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH ACTIVE-SITE INHIBITOR
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, S-ADENOSYLMETHIONINE, N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide
Authors:Zhong, W., Koay, A., Wong, Y.W., Sahili, A.E., Nah, Q., Kang, C., Poulsen, A., Chionh, Y.K., McBee, M., Matter, A., Hill, J., Lescar, J., Dedon, P.C.
Deposit date:2018-08-08
Release date:2019-08-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
To Be Published
5ZQK
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DENGUE VIRUS NON STRUCTURAL PROTEIN 5
Descriptor:Non Structural Protein 5, S-ADENOSYLMETHIONINE, GLYCEROL, ...
Authors:El Sahili, A., Soh, T.S., Schiltz, J., Gharbi-Ayachi, A., Goh, B.C., Seh, C.C., Dedon, P.C., Shi, P.Y., Lim, S.P., Lescar, J.
Deposit date:2018-04-19
Release date:2019-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A conformation of Dengue virus serotype 2 NS5 akin to its ZIKV and JEV homologues.
To Be Published
5ZHI
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APO CRYSTAL STRUCTURE OF TRMD FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:tRNA (guanine-N(1)-)-methyltransferase
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2018-03-13
Release date:2019-03-06
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHJ
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CRYSTAL STRUCTURE OF TRMD FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH S-ADENOSYL HOMOCYSTEINE (SAH)
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, GLYCEROL
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2018-03-13
Release date:2019-03-06
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHK
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CRYSTAL STRUCTURE OF TRMD FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH ACTIVE-SITE INHIBITOR
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2018-03-13
Release date:2019-03-06
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHL
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CRYSTAL STRUCTURE OF TRMD FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH ACTIVE-SITE INHIBITOR
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2018-03-13
Release date:2019-03-06
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHM
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CRYSTAL STRUCTURE OF TRMD FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH ACTIVE-SITE INHIBITOR
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, S-ADENOSYLMETHIONINE
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2018-03-13
Release date:2019-03-06
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHN
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CRYSTAL STRUCTURE OF TRMD FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH ACTIVE-SITE INHIBITOR
Descriptor:tRNA (guanine-N(1)-)-methyltransferase, N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
Authors:Zhong, W., Pasunooti, K.K., Balamkundu, S., Wong, Y.W., Nah, Q., Liu, C.F., Lescar, J., Dedon, P.C.
Deposit date:2018-03-13
Release date:2019-03-27
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZBI
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CRYSTAL STRUCTURE OF ASPARAGINYL ENDOPEPTIDASES FROM VIOLA CANADENSIS
Descriptor:Peptide asparaginyl ligase, SODIUM ION
Authors:Wong, Y.H., Lescar, J.
Deposit date:2018-02-12
Release date:2018-05-09
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of Peptide asparaginyl ligase from Viola canadensis
To Be Published
5YW1
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CRYSTAL STRUCTURE OF FULL LENGTH NS3 PROTEIN (ED4NS2BNS3) IN COMPLEX WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor:Peptidase S7, FLAVIVIRUS_NS2B, PTI protein
Authors:Phoo, W.W., El Sahili, A.
Deposit date:2017-11-28
Release date:2019-01-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YVU
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CRYSTAL STRUCTURES OF UNLINKED FULL LENGTH NS3 FROM DENGUE VIRUS PROVIDE INSIGHTS INTO DYNAMICS OF PROTEASE DOMAIN
Descriptor:Genome polyprotein, Pancreatic trypsin inhibitor, GLYCEROL
Authors:Phoo, W.W., El Sahili, A.
Deposit date:2017-11-27
Release date:2018-11-28
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YVV
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CRYSTAL STRUCTURE OF FULL LENGTH NS3 PROTEIN (GD4NS2BNS3) FROM DENV4 IN CLOSED CONFORMATION
Descriptor:Genome polyprotein
Authors:PHOO, W.W., Sahili, A.E.
Deposit date:2017-11-27
Release date:2018-12-05
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YVW
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CRYSTAL STRUCTURE OF FULL LENGTH NS3 PROTEIN (ED4NS2BNS3) FROM DENV4 IN CLOSED CONFORMATION
Descriptor:Genome polyprotein, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:PHOO, W.W., El Sahili, A.
Deposit date:2017-11-27
Release date:2018-12-05
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YVY
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CRYSTAL STRUCTURE OF UNLINKED FULL LENGTH NS3 PROTEIN (ED4NS2BNS3) FROM DENV4 IN CLOSED CONFORMATION
Descriptor:Genome polyprotein
Authors:PHOO, W.W., El Sahili, A.
Deposit date:2017-11-27
Release date:2018-11-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5YVJ
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CRYSTAL STRUCTURE OF FULL LENGTH NS2B47-NS3 (GD4NS2BNS3) FROM DENGUE VIRUS 4 IN OPEN CONFORMATION
Descriptor:Genome polyprotein, GLYCEROL
Authors:Phoo, W.W., El Sahili, A.
Deposit date:2017-11-26
Release date:2018-11-28
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Crystal structures of unlinked full length NS3 from Dengue virus provide insights into dynamics of protease domain
To Be Published
5Y41
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CRYSTAL STRUCTURE OF LIGAND-BOUND NURR1-LBD
Descriptor:Nuclear receptor subfamily 4 group A member 2, (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid, TRIETHYLENE GLYCOL, ...
Authors:Sreekanth, R., Lescar, J., Yoon, H.S.
Deposit date:2017-07-31
Release date:2018-12-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Co-crystal structure and function of Nurr1 bound to the cyclopentenone prostaglandin A1
To be published
5XVU
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CRYSTAL STRUCTURE OF THE PROTEIN KINASE CK2 CATALYTIC DOMAIN FROM PLASMODIUM FALCIPARUM BOUND TO ATP
Descriptor:Casein kinase 2, alpha subunit, SULFATE ION, ...
Authors:El Sahili, A., Lescar, J., Ruiz-Carrillo, D., Lin, J.
Deposit date:2017-06-28
Release date:2017-07-12
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition.
Sci Rep, 8, 2018