2GIX
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![BU of 2gix by Molmil](/molmil-images/mine/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
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![BU of 1u4e by Molmil](/molmil-images/mine/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
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![BU of 1u4f by Molmil](/molmil-images/mine/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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4P61
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![BU of 4p61 by Molmil](/molmil-images/mine/4p61) | |
4DEL
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![BU of 4del by Molmil](/molmil-images/mine/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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3EKZ
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![BU of 3ekz by Molmil](/molmil-images/mine/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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3EJ7
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![BU of 3ej7 by Molmil](/molmil-images/mine/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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3ELF
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![BU of 3elf by Molmil](/molmil-images/mine/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
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![BU of 3ekl by Molmil](/molmil-images/mine/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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3EJ3
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![BU of 3ej3 by Molmil](/molmil-images/mine/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
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![BU of 3ej9 by Molmil](/molmil-images/mine/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
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![BU of 3ox1 by Molmil](/molmil-images/mine/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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3OX3
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![BU of 3ox3 by Molmil](/molmil-images/mine/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
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![BU of 3ovm by Molmil](/molmil-images/mine/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
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![BU of 3owh by Molmil](/molmil-images/mine/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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3OWX
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![BU of 3owx by Molmil](/molmil-images/mine/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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3OX2
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![BU of 3ox2 by Molmil](/molmil-images/mine/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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7SKQ
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![BU of 7skq by Molmil](/molmil-images/mine/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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7SKR
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![BU of 7skr by Molmil](/molmil-images/mine/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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3MB2
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![BU of 3mb2 by Molmil](/molmil-images/mine/3mb2) | Kinetic and Structural Characterization of a Heterohexamer 4-Oxalocrotonate Tautomerase from Chloroflexus aurantiacus J-10-fl: Implications for Functional and Structural Diversity in the Tautomerase Superfamily | Descriptor: | 4-oxalocrotonate tautomerase family enzyme - alpha subunit, 4-oxalocrotonate tautomerase family enzyme - beta subunit, SULFATE ION | Authors: | Burks, E.A, Fleming, C.D, Mesecar, A.D, Whitman, C.P, Pegan, S.D. | Deposit date: | 2010-03-24 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Kinetic and structural characterization of a heterohexamer 4-oxalocrotonate tautomerase from Chloroflexus aurantiacus J-10-fl: implications for functional and structural diversity in the tautomerase superfamily Biochemistry, 49, 2010
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7SBI
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5W8T
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![BU of 5w8t by Molmil](/molmil-images/mine/5w8t) | 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: | 2024-04-24 | 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
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5W8U
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![BU of 5w8u by Molmil](/molmil-images/mine/5w8u) | 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: | 2024-04-24 | 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
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4ZWO
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![BU of 4zwo by Molmil](/molmil-images/mine/4zwo) | Crystal structure of organophosphate anhydrolase/prolidase mutant Y212F | Descriptor: | GLYCEROL, GLYCOLIC ACID, MANGANESE (II) ION, ... | Authors: | Daczkowski, C.M, Pegan, S.D, Harvey, S.P. | Deposit date: | 2015-05-19 | Release date: | 2015-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Engineering the Organophosphorus Acid Anhydrolase Enzyme for Increased Catalytic Efficiency and Broadened Stereospecificity on Russian VX. Biochemistry, 54, 2015
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4ZWP
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![BU of 4zwp by Molmil](/molmil-images/mine/4zwp) | Crystal structure of organophosphate anhydrolase/prolidase mutant Y212F | Descriptor: | BARIUM ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Daczkowski, C.M, Pegan, S.D, Harvey, S.P. | Deposit date: | 2015-05-19 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Engineering the Organophosphorus Acid Anhydrolase Enzyme for Increased Catalytic Efficiency and Broadened Stereospecificity on Russian VX. Biochemistry, 54, 2015
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