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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
3OX2
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BU of 3ox2 by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Pegan, S.D, Sturdy, M, Mesecar, A.D.
Deposit date:2010-09-21
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OWX
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BU of 3owx by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
Deposit date:2010-09-20
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OX3
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BU of 3ox3 by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
Deposit date:2010-09-21
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OVM
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BU of 3ovm by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ...
Authors:Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A.
Deposit date:2010-09-16
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OX1
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BU of 3ox1 by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
Deposit date:2010-09-21
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
3OWH
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BU of 3owh by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ...
Authors:Pegan, S.D, Sturdy, M, Mesecar, A.D.
Deposit date:2010-09-18
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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
4P61
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BU of 4p61 by Molmil
CHICKEN TRIOSEPHOSPHATE ISOMERASE WITH LOOP6 MUTATIONS, V167P AND W168E.
Descriptor: Triosephosphate isomerase
Authors:Pegan, S.D, Mesecar, A.D.
Deposit date:2014-03-21
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Enzyme architecture: the effect of replacement and deletion mutations of loop 6 on catalysis by triosephosphate isomerase.
Biochemistry, 53, 2014
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
8GH7
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BU of 8gh7 by Molmil
142D6 bound to BIR3-XIAP
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BIR3 inhibitor MAA-CHG-PRO-ZHW, E3 ubiquitin-protein ligase XIAP, ...
Authors:Garza-Granados, A, McGuire, J, Baggio, C, Pellecchia, M, Pegan, S.D.
Deposit date:2023-03-09
Release date:2023-07-05
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of a Potent and Orally Bioavailable Lys-Covalent Inhibitor of Apoptosis Protein (IAP) Antagonist.
J.Med.Chem., 66, 2023
8DDK
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BU of 8ddk by Molmil
CCHFV GP38 Hoti/Kosovo bound with CC5_17
Descriptor: Envelopment polyprotein, Heavy Chain CC5-17, Light Chain CC5_17, ...
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-18
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.86 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
8DC5
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BU of 8dc5 by Molmil
CCHFV GP38 Hoti/Kosovo
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, IODIDE ION
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-15
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
8DCY
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BU of 8dcy by Molmil
CCHFV GP38 Hoti/Kosovo bound with 13G8 Fab
Descriptor: 13G8 Heavy Chain, 13G8 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J.
Deposit date:2022-06-17
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus.
Nat Commun, 13, 2022
7JMS
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BU of 7jms by Molmil
Structure of the Hazara virus OTU bound to ubiquitin
Descriptor: CALCIUM ION, GLYCEROL, Polyubiquitin-B, ...
Authors:Dzimianski, J.V, Pegan, S.D.
Deposit date:2020-08-02
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Flipping the substrate preference of Hazara virus ovarian tumour domain protease through structure-based mutagenesis.
Acta Crystallogr D Struct Biol, 76, 2020
5JZE
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BU of 5jze by Molmil
Erve virus viral OTU domain protease in complex with mouse ISG15
Descriptor: CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ...
Authors:Deaton, M.K, Dzimianski, J.V, Pegan, S.D.
Deposit date:2016-05-16
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species.
J.Virol., 90, 2016
5W8T
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BU of 5w8t by Molmil
Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ORF1ab, Ubiquitin-like protein ISG15, ...
Authors:Daczkowski, C.M, Goodwin, O.Y, Dzimianski, J.V, Farhat, J.J, Pegan, S.D.
Deposit date:2017-06-22
Release date:2017-09-27
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (2.758 Å)
Cite:Structurally Guided Removal of DeISGylase Biochemical Activity from Papain-Like Protease Originating from Middle East Respiratory Syndrome Coronavirus.
J. Virol., 91, 2017
6OAT
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BU of 6oat by Molmil
Structure of the Ganjam virus OTU bound to sheep ISG15
Descriptor: Interferon stimulated gene 17, RNA-dependent RNA polymerase, prop-2-en-1-amine
Authors:Dzimianski, J.V, Williams, I.L, Pegan, S.D.
Deposit date:2019-03-18
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Determining the molecular drivers of species-specific interferon-stimulated gene product 15 interactions with nairovirus ovarian tumor domain proteases.
Plos One, 14, 2019
5W8U
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BU of 5w8u by Molmil
Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ORF1ab, Ubiquitin-like protein ISG15, ...
Authors:Daczkowski, C.M, Goodwin, O.Y, Dzimianski, J.D, Pegan, S.D.
Deposit date:2017-06-22
Release date:2017-09-27
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Structurally Guided Removal of DeISGylase Biochemical Activity from Papain-Like Protease Originating from Middle East Respiratory Syndrome Coronavirus.
J. Virol., 91, 2017
7MC9
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BU of 7mc9 by Molmil
X-RAY STRUCTURE OF PEDV PAPAIN-LIKE PROTEASE 2 bound to UB-PA
Descriptor: 3C-like proteinase, Ubiquitin, ZINC ION, ...
Authors:Durie, I.A, Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D.
Deposit date:2021-04-01
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.099 Å)
Cite:Structural insights into the interaction of papain-like protease 2 from the alphacoronavirus porcine epidemic diarrhea virus and ubiquitin
Acta Cryst. D, 77, 2021
7SBI
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BU of 7sbi by Molmil
Tandem diubiquitin-like domain from chicken 2'-5'-oligoadenylate synthetase-like protein
Descriptor: 2'-5' oligoadenylate synthase
Authors:Freitas, B.T, Pegan, S.D.
Deposit date:2021-09-24
Release date:2022-01-12
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Structure and Immune Regulatory Implications of the Ubiquitin-Like Tandem Domain Within an Avian 2'-5' Oligoadenylate Synthetase-Like Protein
Front Immunol, 12, 2022
7SKR
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BU of 7skr by Molmil
BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide, ...
Authors:Durie, I, Shepard, J, Freitas, B, O'Boyle, B, Enos, S, Pegan, S.D.
Deposit date:2021-10-21
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
7SKQ
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BU of 7skq by Molmil
BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor GRL-0617
Descriptor: 3C-like proteinase, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ZINC ION
Authors:Freitas, B, Durie, I, Shepard, J, O'Boyle, B, Enos, S, Pegan, S.D.
Deposit date:2021-10-21
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
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

 

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