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4RNA
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BU of 4rna by Molmil
Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
Descriptor: PHOSPHATE ION, ZINC ION, papain-like protease
Authors:Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E.
Deposit date:2014-10-23
Release date:2015-03-25
Last modified:2023-12-06
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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BU of 4yiw by Molmil
DIHYDROOROTASE FROM BACILLUS ANTHRACIS WITH SUBSTRATE BOUND
Descriptor: Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ZINC ION
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:2023-09-27
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
3UIC
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BU of 3uic by Molmil
Crystal Structure of FabI, an Enoyl Reductase from F. tularensis, in complex with a Novel and Potent Inhibitor
Descriptor: 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E.
Deposit date:2011-11-04
Release date:2012-06-06
Last modified:2023-09-13
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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BU of 3v4s by Molmil
Crystal Structure of ADP-ATP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ...
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:2024-02-28
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
4NYE
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BU of 4nye by Molmil
Structures of SAICAR Synthetase (PurC) from Streptococcus pneumoniae with ADP, Mg2+, AIR and L-Asp
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Fung, L.W.-M, Johnson, M.E, Abad-Zapatero, C, Wolf, N.M.
Deposit date:2013-12-10
Release date:2014-04-02
Last modified:2023-09-20
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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BU of 4nz9 by Molmil
Crystal Structure of FabI from S. aureus in complex with a novel benzimidazole inhibitor
Descriptor: 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mehboob, S, Johnson, M.E, Santarsiero, B.D.
Deposit date:2013-12-11
Release date:2014-12-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:To be published
To be Published
4DLK
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BU of 4dlk by Molmil
Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PHOSPHATE 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:2024-02-28
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
4PT5
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BU of 4pt5 by Molmil
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:2023-12-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
To be Published
4FE2
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BU of 4fe2 by Molmil
X-Ray Structure of SAICAR Synthetase (PurC) from Streptococcus pneumoniae complexed with AIR, ADP, Asp and Mg2+
Descriptor: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ACETATE ION, 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:2023-09-13
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
5T1V
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BU of 5t1v by Molmil
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
Last modified:2023-10-04
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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BU of 5txg by Molmil
Crystal structure of the Zika virus NS3 helicase.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NS3 helicase, POTASSIUM ION
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
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the Zika virus NS3 helicase.
To be published
4IQL
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BU of 4iql by Molmil
Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN
Descriptor: Enoyl-(Acyl-carrier-protein) reductase II, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
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:2023-12-06
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
4J3F
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BU of 4j3f by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold.
Descriptor: 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
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:2023-09-20
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
4J1N
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BU of 4j1n by Molmil
Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
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:2023-09-20
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
4J4T
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BU of 4j4t by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
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:2023-09-20
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
3MPG
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BU of 3mpg by Molmil
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:2024-02-21
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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BU of 3nrc by Molmil
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:2023-09-06
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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BU of 3q2o by Molmil
Crystal Structure of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: MAGNESIUM ION, Phosphoribosylaminoimidazole carboxylase, ATPase subunit
Authors:Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2010-12-20
Release date:2011-10-26
Last modified:2023-09-13
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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BU of 3qff by Molmil
Crystal Structure of ADP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthetase
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:2023-09-13
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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BU of 3r5h by Molmil
Crystal Structure of ADP-AIR complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
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:2023-11-01
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
1OWA
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BU of 1owa by Molmil
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:2022-02-23
Method:SOLUTION NMR
Cite:Solution structural studies on human erythrocyte alpha-spectrin tetramerization site.
J.Biol.Chem., 278, 2003
2ALV
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BU of 2alv by Molmil
X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors
Descriptor: 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, Replicase polyprotein 1ab
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:2023-08-23
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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BU of 2dwu by Molmil
Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis
Descriptor: D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ...
Authors:Mehboob, S, Santarsiero, B.D, Johnson, M.E.
Deposit date:2006-08-17
Release date:2007-06-19
Last modified:2023-10-25
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
1TX7
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BU of 1tx7 by Molmil
Bovine Trypsin complexed with p-amidinophenylmethylphosphinic acid (AMPA)
Descriptor: (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID, CALCIUM ION, Trypsinogen
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
2GZM
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BU of 2gzm by Molmil
Crystal Structure of the Glutamate Racemase from Bacillus anthracis
Descriptor: D-GLUTAMIC ACID, Glutamate racemase
Authors:May, M, Santarsiero, B.D, Johnson, M.E, Mesecar, A.D.
Deposit date:2006-05-11
Release date:2007-05-29
Last modified:2023-08-30
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

 

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