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4GVG
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CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ)
Descriptor:Beta-hexosaminidase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GVH
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CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) COVALENTLY BOUND TO 5-FLUORO-GLCNAC.
Descriptor:Beta-hexosaminidase, N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-12
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GVI
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CRYSTAL STRUCTURE OF MUTANT (D248N) SALMONELLA TYPHIMURIUM FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) IN COMPLEX WITH GLCNAC-1,6-ANHMURNAC
Descriptor:Beta-hexosaminidase, N-ACETYL-D-GLUCOSAMINE, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, ...
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-12
Last modified:2013-09-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GYJ
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CRYSTAL STRUCTURE OF MUTANT (D318N) BACILLUS SUBTILIS FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) IN COMPLEX WITH GLCNAC-MURNAC (SPACE GROUP P1)
Descriptor:Uncharacterized lipoprotein ybbD, N-ACETYL-D-GLUCOSAMINE, N-ACETYLMURAMIC ACID
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2012-09-05
Release date:2012-12-12
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GYK
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CRYSTAL STRUCTURE OF MUTANT (D318N) BACILLUS SUBTILIS FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) IN COMPLEX WITH GLCNAC-MURNAC (SPACE GROUP P1211)
Descriptor:Glycoside Hydrolase NagZ, N-ACETYL-D-GLUCOSAMINE, N-ACETYLMURAMIC ACID
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2012-09-05
Release date:2012-12-12
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4HZM
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CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO N-[(3S,4R,5R,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)PIPERIDIN-3-YL]BUTANAMIDE
Descriptor:Beta-hexosaminidase, N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2012-11-15
Release date:2013-06-19
Last modified:2013-11-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Development of Selective Inhibitors of NagZ: Increased Susceptibility of Gram-Negative Bacteria to beta-Lactams.
Chembiochem, 14, 2013
4MO4
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CRYSTAL STRUCTURE OF ANMK BOUND TO AMPPCP
Descriptor:Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2013-09-11
Release date:2014-01-01
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
4MO5
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CRYSTAL STRUCTURE OF ANMK BOUND TO AMPPCP AND ANHMURNAC
Descriptor:Anhydro-N-acetylmuramic acid kinase, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Bacik, J.P., Mark, B.L.
Deposit date:2013-09-11
Release date:2014-01-01
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
4MSS
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO (3S,4R,5R,6S)-3-ACETAMIDO-4,5,6-TRIHYDROXYAZEPANE
Descriptor:Beta-hexosaminidase 1, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide, GLYCEROL
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2013-09-18
Release date:2013-10-30
Last modified:2013-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective trihydroxyazepane NagZ inhibitors increase sensitivity of Pseudomonas aeruginosa to beta-lactams.
Chem.Commun.(Camb.), 49, 2013
4N39
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CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE BOUND TO A PEPTIDE FROM HCF-1 PRO-REPEAT 2 (11-26)
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, Host cell factor 1, URIDINE-5'-DIPHOSPHATE
Authors:Lazarus, M.B., Herr, W., Walker, S.
Deposit date:2013-10-06
Release date:2014-01-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4N3A
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CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE BOUND TO A PEPTIDE FROM HCF-1 PRO-REPEAT 2 (1-26)E10A
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, Host cell factor 1, URIDINE-5'-DIPHOSPHATE
Authors:Lazarus, M.B., Herr, W., Walker, S.
Deposit date:2013-10-06
Release date:2014-01-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4N3B
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CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE BOUND TO A PEPTIDE FROM HCF-1 PRO-REPEAT2(1-26)E10Q AND UDP-5SGLCNAC
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, Host cell factor 1, (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Authors:Lazarus, M.B., Herr, W., Walker, S.
Deposit date:2013-10-06
Release date:2014-01-01
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4N3C
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CRYSTAL STRUCTURE OF HUMAN O-GLCNAC TRANSFERASE BOUND TO A PEPTIDE FROM HCF-1 PRO-REPEAT2(1-26) AND UDP-GLCNAC
Descriptor:UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, Host cell factor 1, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Lazarus, M.B., Herr, W., Walker, S.
Deposit date:2013-10-06
Release date:2014-01-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4OJN
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CRYSTAL STRUCTURE OF HUMAN MUSCLE L-LACTATE DEHYDROGENASE
Descriptor:L-lactate dehydrogenase A chain, PENTAETHYLENE GLYCOL, GLYCEROL
Authors:Kolappan, S., Craig, L.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
4OKN
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CRYSTAL STRUCTURE OF HUMAN MUSCLE L-LACTATE DEHYDROGENASE, TERNARY COMPLEX WITH NADH AND OXALATE
Descriptor:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXALATE ION, ...
Authors:Kolappan, S., Craig, L.
Deposit date:2014-01-22
Release date:2014-12-03
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
4QSM
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CRYSTAL STRUCTURE OF HUMAN MUSCLE L-LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR 2, 3-{[7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)-3-SULFAMOYLQUINOLIN-4-YL]AMINO}BENZOIC ACID
Descriptor:L-lactate dehydrogenase A chain, 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid
Authors:Kolappan, S., Craig, L.
Deposit date:2014-07-06
Release date:2014-12-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
4QT0
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CRYSTAL STRUCTURE OF HUMAN MUSCLE L-LACTATE DEHYDROGENASE IN COMPLEX WITH INHIBITOR 1, 3-{[3-CARBAMOYL-7-(2,4-DIMETHOXYPYRIMIDIN-5-YL)QUINOLIN-4-YL]AMINO}BENZOIC ACID
Descriptor:L-lactate dehydrogenase A chain, 3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid
Authors:Kolappan, S., Craig, L.
Deposit date:2014-07-06
Release date:2014-12-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
4WKM
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AMPR EFFECTOR BINDING DOMAIN FROM CITROBACTER FREUNDII BOUND TO UDP-MURNAC-PENTAPEPTIDE
Descriptor:LysR family transcriptional regulator, ALA-FGA-API-DAL-DAL, GLYCEROL, ...
Authors:Vadlamani, G., Reeve, T.M., Mark, B.L.
Deposit date:2014-10-02
Release date:2014-12-17
Last modified:2015-02-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The beta-Lactamase Gene Regulator AmpR Is a Tetramer That Recognizes and Binds the d-Ala-d-Ala Motif of Its Repressor UDP-N-acetylmuramic Acid (MurNAc)-pentapeptide.
J.Biol.Chem., 290, 2015
5UTP
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO N-ETHYLBUTYRYL-PUGNAC
Descriptor:Beta-hexosaminidase, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
5UTQ
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO PUGNAC
Descriptor:Beta-hexosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
5UTR
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO (3S,4R,5R,6S)-3-BUTYRYL-4,5,6-TRIHYDROXYAZEPANE
Descriptor:Beta-hexosaminidase, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
6MK6
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CARBAPENEMASE VCC-1 FROM VIBRIO CHOLERAE N14-02106
Descriptor:Beta-lactamase
Authors:Mark, B.L., Vadlamani, G.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis for the potent inhibition of the emerging carbapenemase VCC-1 by avibactam.
Antimicrob. Agents Chemother., 2019
6MKQ
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CARBAPENEMASE VCC-1 BOUND TO AVIBACTAM
Descriptor:Beta-lactamase, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
Authors:Mark, B.L., Vadlamani, G.
Deposit date:2018-09-26
Release date:2019-01-30
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis for the potent inhibition of the emerging carbapenemase VCC-1 by avibactam.
Antimicrob. Agents Chemother., 2019