2GIX
| Cytoplasmic Domain Structure of Kir2.1 containing Andersen's Mutation R218Q and Rescue Mutation T309K | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Inward rectifier potassium channel 2, POTASSIUM ION | Authors: | Pegan, S, Arrabit, C, Slesinger, P.A, Choe, S. | Deposit date: | 2006-03-29 | Release date: | 2006-07-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Andersen's Syndrome Mutation Effects on the Structure and Assembly of the Cytoplasmic Domains of Kir2.1. Biochemistry, 45, 2006
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1U4E
| Crystal Structure of Cytoplasmic Domains of GIRK1 channel | Descriptor: | G protein-activated inward rectifier potassium channel 1 | Authors: | Pegan, S, Arrabit, C, Zhou, W, Kwiatkowski, W, Slesinger, P.A, Choe, S. | Deposit date: | 2004-07-24 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Cytoplasmic domain structures of Kir2.1 and Kir3.1 show sites for modulating gating and rectification Nat.Neurosci., 8, 2005
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1U4F
| Crystal Structure of Cytoplasmic Domains of IRK1 (Kir2.1) channel | Descriptor: | Inward rectifier potassium channel 2 | Authors: | Pegan, S, Arrabit, C, Zhou, W, Kwiatkowski, W, Slesinger, P.A, Choe, S. | Deposit date: | 2004-07-24 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Cytoplasmic domain structures of Kir2.1 and Kir3.1 show sites for modulating gating and rectification Nat.Neurosci., 8, 2005
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4DEL
| 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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4P61
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3EKZ
| Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SN-GLYCEROL-3-PHOSPHATE, ... | Authors: | Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. | Deposit date: | 2008-09-19 | Release date: | 2009-02-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
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3ELF
| Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. | Deposit date: | 2008-09-22 | Release date: | 2009-02-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
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3EKL
| Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. | Deposit date: | 2008-09-19 | Release date: | 2009-02-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
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3EJ7
| Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity | Descriptor: | Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, SULFATE ION | Authors: | Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D. | Deposit date: | 2008-09-17 | Release date: | 2008-12-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity. Acta Crystallogr.,Sect.D, 64, 2008
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3EJ3
| Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity | Descriptor: | ACETATE ION, Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, ... | Authors: | Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D. | Deposit date: | 2008-09-17 | Release date: | 2008-12-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity. Acta Crystallogr.,Sect.D, 64, 2008
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3EJ9
| Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity | Descriptor: | Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase | Authors: | Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D. | Deposit date: | 2008-09-17 | Release date: | 2008-12-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity. Acta Crystallogr.,Sect.D, 64, 2008
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3OX1
| 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
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3OX2
| 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
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3OWX
| 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
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3OX3
| 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
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3OVM
| 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
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3OWH
| 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
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8GH7
| 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
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4TO8
| 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
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7SKR
| 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
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7SKQ
| 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
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8DC5
| 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
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8DDK
| 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
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8DCY
| 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
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5JZE
| 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
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