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4LV4
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BU of 4lv4 by Molmil
A noncompetitive inhibitor for M. tuberculosis's class IIa fructose 1,6-bisphosphate aldolase
Descriptor: 8-hydroxyquinoline-2-carboxylic acid, ACETATE ION, Fructose-bisphosphate aldolase, ...
Authors:Capodagli, G.C, Pegan, S.D.
Deposit date:2013-07-25
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Noncompetitive Inhibitor for Mycobacterium tuberculosis's Class IIa Fructose 1,6-Bisphosphate Aldolase.
Biochemistry, 53, 2014
4HXD
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BU of 4hxd by Molmil
Diversity of ubiquitin and ISG15 specificity amongst nairoviruses viral ovarian tumor domain proteases
Descriptor: 1.7.6 3-bromanylpropan-1-amine, Polyubiquitin-C, RNA-directed RNA polymerase L, ...
Authors:Capodagli, G.C, Pegan, S.D.
Deposit date:2012-11-09
Release date:2013-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Diversity of Ubiquitin and ISG15 Specificity among Nairoviruses' Viral Ovarian Tumor Domain Proteases.
J.Virol., 87, 2013
3PRM
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BU of 3prm by Molmil
Structural analysis of a viral OTU domain protease from the Crimean-Congo Hemorrhagic Fever virus in complex with human ubiquitin
Descriptor: Polyubiquitin-B (Fragment), RNA-directed RNA polymerase L
Authors:Capodagli, G.C, McKercher, M.A, Baker, E.A, Masters, E.M, Brunzelle, J.S, Pegan, S.D.
Deposit date:2010-11-30
Release date:2011-01-26
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of a viral ovarian tumor domain protease from the crimean-congo hemorrhagic Fever virus in complex with covalently bonded ubiquitin.
J.Virol., 85, 2011
3PRP
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BU of 3prp by Molmil
Structural analysis of a viral OTU domain protease from the Crimean-Congo Hemorrhagic Fever virus in complex with human ubiquitin
Descriptor: Polyubiquitin-B (Fragment), RNA-directed RNA polymerase L
Authors:Capodagli, G.C, McKercher, M.A, Baker, E.A, Masters, E.M, Brunzelle, J.S, Pegan, S.D.
Deposit date:2010-11-30
Release date:2011-01-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural analysis of a viral ovarian tumor domain protease from the crimean-congo hemorrhagic Fever virus in complex with covalently bonded ubiquitin.
J.Virol., 85, 2011
4TO8
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BU of 4to8 by Molmil
Methicillin-Resistant Staphylococcus Aureus Class IIb Fructose 1,6-Bisphosphate Aldolase
Descriptor: CITRATE ANION, Fructose-1,6-bisphosphate aldolase, class II, ...
Authors:Capodagli, G.C, Pegan, S.D.
Deposit date:2014-06-05
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Functional Characterization of Methicillin-Resistant Staphylococcus aureus's Class IIb Fructose 1,6-Bisphosphate Aldolase.
Biochemistry, 53, 2014
6W1A
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BU of 6w1a by Molmil
Crystal structure of Streptococcus dysgalactiae SHP pheromone receptor Rgg2 bound to DNA
Descriptor: DNA (30-MER), GLYCEROL, PHOSPHATE ION, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2020-03-03
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-function studies of Rgg binding to pheromones and target promoters reveal a model of transcription factor interplay.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JI0
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BU of 7ji0 by Molmil
CryoEM structure of Streptococcus thermophilus SHP pheromone receptor Rgg3 in complex with SHP3
Descriptor: Positive transcriptional regulator MutR family, SHP3
Authors:Petrou, V.I, Capodagli, G.C, Kaelber, J.T, Neiditch, M.B.
Deposit date:2020-07-21
Release date:2020-10-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structure-function studies of Rgg binding to pheromones and target promoters reveal a model of transcription factor interplay.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P9L
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BU of 6p9l by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6P9K
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BU of 6p9k by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Descriptor: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6P9M
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BU of 6p9m by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6W1F
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BU of 6w1f by Molmil
Crystal structure of Streptococcus thermophilus SHP pheromone receptor Rgg3 bound to DNA
Descriptor: DNA (30-MER), Positive transcriptional regulator MutR family
Authors:Neiditch, M.B, Capodagli, G.C.
Deposit date:2020-03-04
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-function studies of Rgg binding to pheromones and target promoters reveal a model of transcription factor interplay.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W1E
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BU of 6w1e by Molmil
Crystal structure of Streptococcus thermophilus SHP pheromone receptor Rgg3
Descriptor: Positive transcriptional regulator MutR family, SULFATE ION
Authors:Neiditch, M.B, Capodagli, G.C.
Deposit date:2020-03-04
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structure-function studies of Rgg binding to pheromones and target promoters reveal a model of transcription factor interplay.
Proc.Natl.Acad.Sci.USA, 117, 2020
4DEF
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BU of 4def by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Capodagli, G.C, Pegan, S.D.
Deposit date:2012-01-20
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2Q
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BU of 5w2q by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W4M
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BU of 5w4m by Molmil
Crystal structure of Streptococcus dysgalactiae SHP pheromone receptor Rgg2(C45S)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-12
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Activating mutations in quorum-sensing regulator Rgg2 and its conformational flexibility in the absence of an intermolecular disulfide bond.
J. Biol. Chem., 292, 2017
5W2O
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BU of 5w2o by Molmil
Crystal structure of Mycobacterium tuberculosis KasA
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2S
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BU of 5w2s by Molmil
Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
3TAO
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BU of 3tao by Molmil
Structure of Mycobacterium tuberculosis triosephosphate isomerase bound to phosphoglycolohydroxamate
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase
Authors:Connor, S.E, Capodagli, G.C, Deaton, M.K, Pegan, S.D.
Deposit date:2011-08-04
Release date:2011-11-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of Mycobacterium tuberculosis triosephosphate isomerase.
Acta Crystallogr.,Sect.D, 67, 2011
3TA6
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BU of 3ta6 by Molmil
Structure of Mycobacterium tuberculosis triosephosphate isomerase
Descriptor: CITRATE ANION, Triosephosphate isomerase
Authors:Connor, S.E, Capodagli, G.C, Deaton, M.K, Pegan, S.D.
Deposit date:2011-08-03
Release date:2011-11-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural and functional characterization of Mycobacterium tuberculosis triosephosphate isomerase.
Acta Crystallogr.,Sect.D, 67, 2011
4FFX
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BU of 4ffx by Molmil
Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation
Descriptor: Adenylosuccinate lyase
Authors:Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D.
Deposit date:2012-06-01
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation.
Biochemistry, 51, 2012
4FLC
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BU of 4flc by Molmil
Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation
Descriptor: Adenylosuccinate lyase
Authors:Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D.
Deposit date:2012-06-14
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation.
Biochemistry, 51, 2012
5W4N
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BU of 5w4n by Molmil
Crystal structure of Streptococcus dysgalactiae SHP pheromone receptor Rgg2(C45S)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Transcriptional regulator
Authors:Neiditch, M.B, Khataokar, A.A, Capodagli, G.C.
Deposit date:2017-06-12
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Activating mutations in quorum-sensing regulator Rgg2 and its conformational flexibility in the absence of an intermolecular disulfide bond.
J. Biol. Chem., 292, 2017
4DEL
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BU of 4del by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ...
Authors:Pegan, S.D, Mesecar, A.D.
Deposit date:2012-01-20
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013

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