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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
1B71
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BU of 1b71 by Molmil
RUBRERYTHRIN
Descriptor: FE (III) ION, PROTEIN (RUBRERYTHRIN), ZINC ION
Authors:Sieker, L.C, Holmes, M, Le Trong, I, Turley, S, Santarsiero, B.D, Liu, M.-Y, Legall, J, Stenkamp, R.E.
Deposit date:1999-01-26
Release date:2000-01-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Alternative metal-binding sites in rubrerythrin.
Nat.Struct.Biol., 6, 1999
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
2ZC1
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BU of 2zc1 by Molmil
Organophosphorus Hydrolase from Deinococcus radiodurans
Descriptor: BROMIDE ION, COBALT (II) ION, Phosphotriesterase
Authors:Larsen, S.D, Hawwa, R, Ratia, K, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-11-02
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-Ray Structural Insights into a Phosphotriesterase
to be published
7L00
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BU of 7l00 by Molmil
Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
Descriptor: Enoyl-Acyl Carrier Protein Reductase FabK, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Akhtar, A, Santarsiero, B.D, Hevener, K.E.
Deposit date:2020-12-10
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
To be published
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
1T5A
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BU of 1t5a by Molmil
Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Dombrauckas, J.D, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2004-05-03
Release date:2005-07-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for tumor pyruvate kinase M2 allosteric regulation and catalysis.
Biochemistry, 44, 2005
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
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
3F31
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BU of 3f31 by Molmil
Crystal Structure of the N-terminal region of AlphaII-spectrin Tetramerization Domain
Descriptor: Spectrin alpha chain, brain
Authors:Mehboob, S, Santarsiero, B.D, Long, F, Witek, M, Fung, L.W.
Deposit date:2008-10-30
Release date:2009-10-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the nonerythroid alpha-spectrin tetramerization site reveals differences between erythroid and nonerythroid spectrin tetramer formation.
J.Biol.Chem., 285, 2010
3FCT
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BU of 3fct by Molmil
MATURE METAL CHELATASE CATALYTIC ANTIBODY WITH HAPTEN
Descriptor: CADMIUM ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Romesberg, F.E, Santarsiero, B.D, Barnes, D, Yin, J, Spiller, B, Schultz, P.G, Stevens, R.C.
Deposit date:1999-06-13
Release date:1999-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and kinetic evidence for strain in biological catalysis.
Biochemistry, 37, 1998
1RTP
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BU of 1rtp by Molmil
REFINED X-RAY STRUCTURE OF RAT PARVALBUMIN, A MAMMALIAN ALPHA-LINEAGE PARVALBUMIN, AT 2.0 A RESOLUTION
Descriptor: ALPHA-PARVALBUMIN, CALCIUM ION
Authors:Mcphalen, C.A, Sielecki, A.R, Santarsiero, B.D, James, M.N.G.
Deposit date:1993-05-14
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined crystal structure of rat parvalbumin, a mammalian alpha-lineage parvalbumin, at 2.0 A resolution.
J.Mol.Biol., 235, 1994
2FE8
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BU of 2fe8 by Molmil
SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme
Descriptor: BROMIDE ION, Replicase polyprotein 1ab, SULFATE ION, ...
Authors:Ratia, K, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2005-12-15
Release date:2006-03-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
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
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
2IDM
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BU of 2idm by Molmil
2.00 A Structure of T87I/Y106W Phosphono-CheY
Descriptor: ACETATE ION, Chemotaxis protein cheY
Authors:Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2006-09-15
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
2ID7
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BU of 2id7 by Molmil
1.75 A Structure of T87I Phosphono-CheY
Descriptor: Chemotaxis protein cheY
Authors:Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2006-09-14
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
2ID9
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BU of 2id9 by Molmil
1.85 A Structure of T87I/Y106W Phosphono-CheY
Descriptor: Chemotaxis protein cheY
Authors:Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2006-09-14
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
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
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
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
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

 

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