6WTC
 
 | | Crystal Structure of the Second Form of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2 | | Descriptor: | ACETIC ACID, Non-structural protein 7, Non-structural protein 8 | | Authors: | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Second Form of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2
To Be Published
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6XMK
 | | 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j | | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-06-30 | | Release date: | 2020-07-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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2NCX
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2NCY
 | | Solution structure of pseudin-2 analog (Ps-P) | | Descriptor: | Pseudin-2 | | Authors: | Jeon, D, Kim, J, Shin, A, Kim, Y. | | Deposit date: | 2016-04-18 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Optimum Balance between the Cationicity and Structural Component for Bacterial Cell Selectivity and Anti-inflammatory activities of Pseudin-2 and its Analogs
To be Published
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1K1D
 | | Crystal structure of D-hydantoinase | | Descriptor: | D-hydantoinase, ZINC ION | | Authors: | Cheon, Y.H, Kim, H.S, Han, K.H, Abendroth, J, Niefind, K, Schomburg, D, Wang, J, Kim, Y. | | Deposit date: | 2001-09-25 | | Release date: | 2002-08-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity.
Biochemistry, 41, 2002
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2OJM
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2OJN
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2OJO
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2E2E
 | | TPR domain of NrfG mediates the complex formation between heme lyase and formate-dependent nitrite reductase in Escherichia Coli O157:H7 | | Descriptor: | BETA-MERCAPTOETHANOL, Formate-dependent nitrite reductase complex nrfG subunit, IMIDAZOLE | | Authors: | Han, D, Kim, K, Oh, J, Park, J, Kim, Y. | | Deposit date: | 2006-11-11 | | Release date: | 2007-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | TPR domain of NrfG mediates complex formation between heme lyase and formate-dependent nitrite reductase in Escherichia coli O157:H7.
Proteins, 70, 2008
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7RZP
 | | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866 | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Dihydropteridine reductase, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-08-27 | | Release date: | 2021-09-29 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
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7RZL
 | | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-08-27 | | Release date: | 2021-09-29 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
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7S1A
 | | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20 | | Descriptor: | ACETIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-09-01 | | Release date: | 2021-10-06 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
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2LXJ
 | | Backbone 1H, 13C, and 15N Chemical Shift Assignments for cold shock protein, LmCsp with dT7 | | Descriptor: | Cold shock-like protein CspLA | | Authors: | Lee, J, Jeong, K, Kim, Y. | | Deposit date: | 2012-08-27 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Dynamic Features of Cold-Shock Proteins of Listeriamonocytogenes, a Psychrophilic Bacterium
Biochemistry, 52, 2013
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2LXK
 | | Backbone 1H, 13C, and 15N Chemical Shift Assignments for cold shock protein, LmCsp | | Descriptor: | Cold shock-like protein CspLA | | Authors: | Lee, J, Jeong, K, Kim, Y. | | Deposit date: | 2012-08-27 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Dynamic Features of Cold-Shock Proteins of Listeriamonocytogenes, a Psychrophilic Bacterium
Biochemistry, 52, 2013
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4YIR
 | | Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | | Authors: | Min, J.-H, Chen, X, Kim, Y. | | Deposit date: | 2015-03-02 | | Release date: | 2015-03-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.0501 Å) | | Cite: | Kinetic gating mechanism of DNA damage recognition by Rad4/XPC.
Nat Commun, 6, 2015
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1T54
 | | Antibiotic Activity and Structural Analysis of a Scorpion-derived Antimicrobial peptide IsCT and Its Analogs | | Descriptor: | Cytotoxic linear peptide IsCT | | Authors: | Lee, K, Shin, S.Y, Kim, K, Lim, S.S, Hahm, K.S, Kim, Y. | | Deposit date: | 2004-05-02 | | Release date: | 2004-10-19 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Antibiotic activity and structural analysis of the scorpion-derived antimicrobial peptide IsCT and its analogs
Biochem.Biophys.Res.Commun., 323, 2004
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1T55
 | | Antibiotic Activity and Structural Analysis of a Scorpion-derived Antimicrobial peptide IsCT and Its Analogs | | Descriptor: | Cytotoxic linear peptide IsCT | | Authors: | Lee, K, Shin, S.Y, Kim, K, Lim, S.S, Hahm, K.S, Kim, Y. | | Deposit date: | 2004-05-02 | | Release date: | 2004-10-19 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Antibiotic activity and structural analysis of the scorpion-derived antimicrobial peptide IsCT and its analogs
Biochem.Biophys.Res.Commun., 323, 2004
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1T51
 | | Antibiotic Activity and Structural Analysis of a Scorpion-derived Antimicrobial peptide IsCT and Its Analogs | | Descriptor: | Cytotoxic linear peptide IsCT | | Authors: | Lee, K, Shin, S.Y, Kim, K, Lim, S.S, Hahm, K.S, Kim, Y. | | Deposit date: | 2004-05-01 | | Release date: | 2004-10-19 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Antibiotic activity and structural analysis of the scorpion-derived antimicrobial peptide IsCT and its analogs
Biochem.Biophys.Res.Commun., 323, 2004
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1T52
 | | Antibiotic Activity and Structural Analysis of a Scorpion-derived Antimicrobial peptide IsCT and Its Analogs | | Descriptor: | Cytotoxic linear peptide IsCT | | Authors: | Lee, K, Shin, S.Y, Kim, K, Lim, S.S, Hahm, K.S, Kim, Y. | | Deposit date: | 2004-05-01 | | Release date: | 2004-10-19 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Antibiotic activity and structural analysis of the scorpion-derived antimicrobial peptide IsCT and its analogs
Biochem.Biophys.Res.Commun., 323, 2004
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8CZV
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d | | Descriptor: | 3C-like proteinase, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZU
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d | | Descriptor: | 3C-like proteinase, [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZT
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15d | | Descriptor: | 3C-like proteinase, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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2ARH
 | | Crystal Structure of a Protein of Unknown Function AQ1966 from Aquifex aeolicus VF5 | | Descriptor: | CALCIUM ION, SELENIUM ATOM, SULFATE ION, ... | | Authors: | Qiu, Y, Kim, Y, Yang, X, Collart, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal Structure of a Hypothetical Protein Aq_1966 from Aquifex aeolicus VF5
To be Published
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8CZX
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZW
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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