Author results

1OWA
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SOLUTION STRUCTURAL STUDIES ON HUMAN ERYTHROCYTE ALPHA SPECTRIN N TERMINAL TETRAMERIZATION DOMAIN
Descriptor:Spectrin alpha chain, erythrocyte
Authors:Park, S., Caffrey, M.S., Johnson, M.E., Fung, L.W.
Deposit date:2003-03-28
Release date:2004-03-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structural studies on human erythrocyte alpha-spectrin tetramerization site.
J.Biol.Chem., 278, 2003
1TX7
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BOVINE TRYPSIN COMPLEXED WITH P-AMIDINOPHENYLMETHYLPHOSPHINIC ACID (AMPA)
Descriptor:Trypsinogen, CALCIUM ION, (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID
Authors:Cui, J., Marankan, F., Fu, W., Crich, D., Mesecar, A., Johnson, M.E.
Deposit date:2004-07-02
Release date:2005-09-20
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An oxyanion-hole selective serine protease inhibitor in complex with trypsin.
Bioorg.Med.Chem., 10, 2002
2ALV
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X-RAY STRUCTURAL ANALYSIS OF SARS CORONAVIRUS 3CL PROTEINASE IN COMPLEX WITH DESIGNED ANTI-VIRAL INHIBITORS
Descriptor:Replicase polyprotein 1ab, N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
Authors:Ghosh, A.K., Xi, K., Ratia, K., Santarsiero, B.D., Fu, W., Harcourt, B.H., Rota, P.A., Baker, S.C., Johnson, M.E., Mesecar, A.D.
Deposit date:2005-08-08
Release date:2006-08-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 2005
2DWU
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CRYSTAL STRUCTURE OF GLUTAMATE RACEMASE ISOFORM RACE1 FROM BACILLUS ANTHRACIS
Descriptor:Glutamate racemase, POTASSIUM ION, D-GLUTAMIC ACID, ...
Authors:Mehboob, S., Santarsiero, B.D., Johnson, M.E.
Deposit date:2006-08-17
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design
J.Mol.Biol., 371, 2007
2GZM
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CRYSTAL STRUCTURE OF THE GLUTAMATE RACEMASE FROM BACILLUS ANTHRACIS
Descriptor:Glutamate racemase, D-GLUTAMIC ACID
Authors:May, M., Santarsiero, B.D., Johnson, M.E., Mesecar, A.D.
Deposit date:2006-05-11
Release date:2007-05-29
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design.
J.Mol.Biol., 371, 2007
3MPG
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DIHYDROOROTASE FROM BACILLUS ANTHRACIS
Descriptor:Dihydroorotase, ZINC ION
Authors:Santarsiero, B.D., Mehboob, S., Johnson, M.E.
Deposit date:2010-04-26
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of dihydroorotase from Bacillus anthracis at 2.6A resolution.
Acta Crystallogr.,Sect.F, 66, 2010
3NRC
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CRYSTAL STRUCTURE OF THE FRANCISELLA TULARENSIS ENOYL-ACYL CARRIER PROTEIN REDUCTASE (FABI) IN COMPLEX WITH NAD+ AND TRICLOSAN
Descriptor:Enoyl-[acyl-carrier-protein] reductase (NADH), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Mehboob, S., Santarsiero, B.D., Truong, K., Johnson, M.E.
Deposit date:2010-06-30
Release date:2010-11-10
Last modified:2016-12-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD(+) and triclosan.
Acta Crystallogr.,Sect.F, 66, 2010
3Q2O
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CRYSTAL STRUCTURE OF PURK: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE
Descriptor:Phosphoribosylaminoimidazole carboxylase, ATPase subunit, MAGNESIUM ION
Authors:Fung, L.W., Tuntland, M.L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2010-12-20
Release date:2011-10-26
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of N(5)-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 67, 2011
3QFF
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CRYSTAL STRUCTURE OF ADP COMPLEX OF PURK: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE
Descriptor:N5-carboxyaminoimidazole ribonucleotide synthetase, ADENOSINE-5'-DIPHOSPHATE
Authors:Fung, L.W., Tuntland, M.L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2011-01-21
Release date:2011-12-07
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
3R5H
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CRYSTAL STRUCTURE OF ADP-AIR COMPLEX OF PURK: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE
Descriptor:Phosphoribosylaminoimidazole carboxylase, ATPase subunit, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Fung, L.W., Tuntland, M.L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2011-03-18
Release date:2012-03-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis
Acta Crystallogr.,Sect.D, 70, 2014
3UIC
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CRYSTAL STRUCTURE OF FABI, AN ENOYL REDUCTASE FROM F. TULARENSIS, IN COMPLEX WITH A NOVEL AND POTENT INHIBITOR
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
Authors:Mehboob, S., Santarsiero, B.D., Truong, K., Johnson, M.E.
Deposit date:2011-11-04
Release date:2012-06-06
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors.
J.Med.Chem., 55, 2012
3V4S
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CRYSTAL STRUCTURE OF ADP-ATP COMPLEX OF PURK: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE
Descriptor:Phosphoribosylaminoimidazole carboxylase, ATPase subunit, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Fung, L.W., Tuntland, M.L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2011-12-15
Release date:2013-02-13
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
4DLK
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CRYSTAL STRUCTURE OF ATP-CA++ COMPLEX OF PURK: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE
Descriptor:Phosphoribosylaminoimidazole carboxylase, ATPase subunit, CALCIUM ION, ...
Authors:Fung, L.W., Tuntland, M.L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2012-02-06
Release date:2013-02-06
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
4FE2
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X-RAY STRUCTURE OF SAICAR SYNTHETASE (PURC) FROM STREPTOCOCCUS PNEUMONIAE COMPLEXED WITH AIR, ADP, ASP AND MG2+
Descriptor:Phosphoribosylaminoimidazole-succinocarboxamide synthase, 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wolf, N., Abad-Zapatero, C., Johnson, M.E., Fung, L.M.-W.
Deposit date:2012-05-29
Release date:2013-05-29
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structures of SAICAR synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg(2+), AIR and Asp.
Acta Crystallogr.,Sect.D, 70, 2014
4IQL
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CRYSTAL STRUCTURE OF PORPHYROMONAS GINGIVALIS ENOYL-ACP REDUCTASE II (FABK) WITH COFACTORS NADPH AND FMN
Descriptor:Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hevener, K.E., Santarsiero, B.D., Su, P.-C., Boci, T., Truong, K., Johnson, M.E., Mehboob, S.
Deposit date:2013-01-11
Release date:2014-01-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK).
Acta Crystallogr F Struct Biol Commun, 74, 2018
4J1N
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CRYSTAL STRUCTURES OF FABI FROM F. TULARENSIS IN COMPLEX WITH NOVEL INHIBITORS BASED ON THE BENZIMIDAZOLE SCAFFOLD
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, ...
Authors:Mehboob, S., Boci, T., Brubaker, L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2013-02-01
Release date:2014-07-23
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4J3F
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CRYSTAL STRUCTURE OF FABI FROM F. TULARENSIS IN COMPLEX WITH NOVEL INHIBITORS BASED ON THE BENZIMIDAZOLE SCAFFOLD.
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Mehboob, S., Boci, T., Brubaker, L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2013-02-05
Release date:2014-07-23
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4J4T
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CRYSTAL STRUCTURE OF FABI FROM F. TULARENSIS IN COMPLEX WITH NOVEL INHIBITORS BASED ON THE BENZIMIDAZOLE SCAFFOLD
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ...
Authors:Mehboob, S., Boci, T., Brubaker, L., Santarsiero, B.D., Johnson, M.E.
Deposit date:2013-02-07
Release date:2014-07-23
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4NYE
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STRUCTURES OF SAICAR SYNTHETASE (PURC) FROM STREPTOCOCCUS PNEUMONIAE WITH ADP, MG2+, AIR AND L-ASP
Descriptor:Phosphoribosylaminoimidazole-succinocarboxamide synthase, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Fung, L.W.-M., Johnson, M.E., Abad-Zapatero, C., Wolf, N.M.
Deposit date:2013-12-10
Release date:2014-04-02
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structures of SAICAR synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg(2+), AIR and Asp.
Acta Crystallogr.,Sect.D, 70, 2014
4NZ9
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CRYSTAL STRUCTURE OF FABI FROM S. AUREUS IN COMPLEX WITH A NOVEL BENZIMIDAZOLE INHIBITOR
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADPH], 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mehboob, S., Johnson, M.E., Santarsiero, B.D.
Deposit date:2013-12-11
Release date:2014-12-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:To be published
To be Published
4PT5
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CRYSTAL STRUCTURE OF PLPRO FROM MIDDLE EAST RESPIRATORY SYNDROME (MERS) CORONAVIRUS
Descriptor:Papain-like protease, ZINC ION
Authors:Lei, H., Santarsiero, B.D., Lee, H., Johnson, M.E.
Deposit date:2014-03-10
Release date:2014-05-21
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
To be Published
4RNA
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CRYSTAL STRUCTURE OF PLPRO FROM MIDDLE EAST RESPIRATORY SYNDROME (MERS) CORONAVIRUS
Descriptor:papain-like protease, ZINC ION, PHOSPHATE ION
Authors:Lei, H., Santarsiero, B.D., Lee, H., Johnson, M.E.
Deposit date:2014-10-23
Release date:2015-03-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV.
Acs Chem.Biol., 10, 2015
4YIW
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DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND
Descriptor:Dihydroorotase, ZINC ION, N-CARBAMOYL-L-ASPARTATE
Authors:Lei, H., Santarsiero, B.D., Rice, A.J., Lee, H., Johnson, M.E.
Deposit date:2015-03-02
Release date:2016-08-10
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase).
Bioorg.Med.Chem., 24, 2016
5T1V
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CRYSTAL STRUCTURE OF ZIKA VIRUS NS2B-NS3 PROTEASE IN APO-FORM.
Descriptor:NS2B-NS3 protease,NS2B-NS3 protease
Authors:Nocadello, S., Light, S.H., Minasov, G., Shuvalova, L., Cardona-Correa, A.A., Ojeda, I., Vargas, J., Johnson, M.E., Lee, H., Anderson, W.F., Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-08-22
Release date:2016-09-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Zika virus NS2B-NS3 protease in apo-form.
To Be Published
5TXG
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CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS3 HELICASE.
Descriptor:NS3 helicase, POTASSIUM ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Nocadello, S., Light, S.H., Minasov, G., Shuvalova, L., Cardona-Correa, A.A., Ojeda, I., Vargas, J., Johnson, M.E., Lee, H., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-11-16
Release date:2016-12-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the Zika virus NS3 helicase.
To be published
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