Author results

1XC1
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OXO ZIRCONIUM(IV) CLUSTER IN THE FERRIC BINDING PROTEIN (FBP)
Descriptor:periplasmic iron-binding protein, OXO ZIRCONIUM(IV) CLUSTER
Authors:Zhong, W., Alexeev, D., Harvey, I., Guo, M., Hunter, D.J.B., Zhu, H., Campopiano, D.J., Sadler, P.J.
Deposit date:2004-08-31
Release date:2004-09-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Assembly of an Oxo-Zirconium(IV) Cluster in a Protein Cleft
Angew.Chem.Int.Ed.Engl., 43, 2004
4HYV
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PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI IN THE PRESENCE OF MAGNESIUM, PEP AND F26BP
Descriptor:Pyruvate kinase 1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Zhong, W., Morgan, H.P., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2012-11-14
Release date:2013-09-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:`In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase.
Acta Crystallogr.,Sect.D, 69, 2013
4HYW
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PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI IN THE PRESENCE OF MAGNESIUM AND F26BP
Descriptor:Pyruvate kinase 1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Zhong, W., Morgan, H.P., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2012-11-14
Release date:2013-09-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:`In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase.
Acta Crystallogr.,Sect.D, 69, 2013
4KCT
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PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI SOAKED WITH OXALOACETATE
Descriptor:Pyruvate kinase 1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Zhong, W., Morgan, H.P., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2013-04-24
Release date:2014-01-08
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
4KCU
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PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI SOAKED WITH D-MALATE
Descriptor:Pyruvate kinase 1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Zhong, W., Morgan, H.P., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2013-04-24
Release date:2014-01-08
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
4KCV
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PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI SOAKED WITH 2-OXOGLUTARIC ACID
Descriptor:Pyruvate kinase 1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Zhong, W., Morgan, H.P., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2013-04-24
Release date:2014-01-08
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
4KCW
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PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI SOAKED WITH OXALATE
Descriptor:Pyruvate kinase 1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Zhong, W., Morgan, H.P., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2013-04-24
Release date:2014-01-08
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
5WRP
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T-STATE CRYSTAL STRUCTURE OF PYRUVATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Pyruvate kinase, PHOSPHATE ION
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:2018-01-10
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
5WS8
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PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH OXALATE
Descriptor:Pyruvate kinase, 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:2018-01-10
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
5WS9
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PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH OXALATE, ATP AND ALLOSTERIC ACTIVATOR AMP
Descriptor:Pyruvate kinase, 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:2018-01-10
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
5WSA
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PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH OXALATE AND ALLOSTERIC ACTIVATOR GLUCOSE 6-PHOSPHATE
Descriptor:Pyruvate kinase, ALPHA-D-GLUCOSE-6-PHOSPHATE, 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:2018-01-10
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
5WSB
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PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH OXALATE, ALLOSTERIC ACTIVATORS AMP AND GLUCOSE 6-PHOSPHATE
Descriptor:Pyruvate kinase, ADENOSINE MONOPHOSPHATE, ALPHA-D-GLUCOSE-6-PHOSPHATE, ...
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:2018-01-10
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
5WSC
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CRYSTAL OF PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH OXALATE, SOAKED WITH ALLOSTERIC ACTIVATORS AMP AND GLUCOSE 6-PHOSPHATE
Descriptor:Pyruvate kinase, ADENOSINE MONOPHOSPHATE, ALPHA-D-GLUCOSE-6-PHOSPHATE, ...
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:2018-01-10
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
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
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
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 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
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
4KRZ
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APO CRYSTAL STRUCTURE OF PYRUVATE KINASE (PYK) FROM TRYPANOSOMA CRUZI
Descriptor:Pyruvate kinase, POTASSIUM ION, GLYCEROL
Authors:Zhong, W., Morgan, H.P., McNae, I.W., Michels, P.A.M., Fothergill-Gilmore, L.A., Walkinshaw, M.D.
Deposit date:2013-05-17
Release date:2014-11-19
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
1O7T
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METAL NANOCLUSTERS BOUND TO THE FERRIC BINDING PROTEIN FROM NEISSERIA GONORRHOEAE.
Descriptor:IRON BINDING PROTEIN, HF OXO CLUSTER HF5, SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3, ...
Authors:Alexeev, D., Zu, H., Guo, M., Zhong, W., Hunter, D.J.B., Yang, W., Campopiano, D.J., Sadler, P.J.
Deposit date:2002-11-12
Release date:2003-02-27
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A novel protein-mineral interface.
Nat. Struct. Biol., 10, 2003