6WZU
 
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group | | Descriptor: | CHLORIDE ION, GLYCEROL, Non-structural protein 3, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-14 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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8F45
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl dimethyl sulfane inhibitor (cyclopropyl ketoamide warhead) | | Descriptor: | (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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8F46
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | | Descriptor: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2022-11-10 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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2KZ3
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2FPO
 | | Putative methyltransferase yhhF from Escherichia coli. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, methylase yhhF | | Authors: | Osipiuk, J, Kim, Y, Sanishvili, R, Skarina, T, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-01-16 | | Release date: | 2006-02-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Methyltransferase that modifies guanine 966 of the 16 S rRNA: functional identification and tertiary structure.
J.Biol.Chem., 282, 2007
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3GN5
 | | Structure of the E. coli protein MqsA (YgiT/b3021) | | Descriptor: | GLYCEROL, HTH-type transcriptional regulator MQSA (YGIT/b3021), ZINC ION | | Authors: | Brown, B.L, Arruda, J.M, Peti, W, Page, R. | | Deposit date: | 2009-03-16 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Three dimensional structure of the MqsR:MqsA complex: a novel TA pair comprised of a toxin homologous to RelE and an antitoxin with unique properties.
Plos Pathog., 5, 2009
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3HYK
 | | 2.31 Angstrom resolution crystal structure of a holo-(acyl-carrier-protein) synthase from Bacillus anthracis str. Ames in complex with CoA (3',5'-ADP) | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, CHLORIDE ION, Holo-[acyl-carrier-protein] synthase, ... | | Authors: | Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-06-22 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
Acta Crystallogr.,Sect.D, 68, 2012
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3HI2
 | | Structure of the N-terminal domain of the E. coli antitoxin MqsA (YgiT/b3021) in complex with the E. coli toxin MqsR (YgiU/b3022) | | Descriptor: | GLYCEROL, HTH-type transcriptional regulator mqsA(ygiT), Motility quorum-sensing regulator mqsR, ... | | Authors: | Grigoriu, S, Brown, B.L, Arruda, J.M, Peti, W, Page, R. | | Deposit date: | 2009-05-18 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three dimensional structure of the MqsR:MqsA complex: a novel TA pair comprised of a toxin homologous to RelE and an antitoxin with unique properties.
Plos Pathog., 5, 2009
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1TF1
 | | Crystal Structure of the E. coli Glyoxylate Regulatory Protein Ligand Binding Domain | | Descriptor: | Negative regulator of allantoin and glyoxylate utilization operons | | Authors: | Walker, J.R, Skarina, T, Kudrytska, M, Joachimiak, A, Arrowsmith, C, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-26 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and biochemical study of effector molecule recognition by the E.coli glyoxylate and allantoin utilization regulatory protein AllR.
J.Mol.Biol., 358, 2006
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7TUM
 | | Multi-Hit SFX using MHz XFEL sources- first hit | | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION | | Authors: | Darmanin, C, Holmes, S, Abbey, B. | | Deposit date: | 2022-02-03 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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7M6B
 | | The Crystal Structure of Mcbe1 | | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2021-03-25 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Target highlights in CASP14: Analysis of models by structure providers.
Proteins, 89, 2021
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4ZDN
 | | Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS4 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION | | Authors: | Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-04-17 | | Release date: | 2015-05-13 | | Last modified: | 2023-03-22 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5CJO
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5BS6
 | | Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI | | Descriptor: | 1,2-ETHANEDIOL, transcriptional regulator AraR | | Authors: | Chang, C, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-17 | | Last modified: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
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6AZ2
 | | Crystal structure of Asf1-Fab 12E complex | | Descriptor: | Fab Heavy Chain, Fab Light Chain, Histone chaperone ASF1 | | Authors: | Bailey, L.J, Kossiakoff, A.A. | | Deposit date: | 2017-09-09 | | Release date: | 2018-01-10 | | Last modified: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.477 Å) | | Cite: | Locking the Elbow: Improved Antibody Fab Fragments as Chaperones for Structure Determination.
J. Mol. Biol., 430, 2018
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6AYZ
 | | Crystal structure of Asf1-Fab 12E complex | | Descriptor: | Fab Heavy Chain, Fab Light Chain, Histone chaperone ASF1 | | Authors: | Bailey, L.J, Kossiakoff, A.A. | | Deposit date: | 2017-09-08 | | Release date: | 2018-01-17 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Locking the Elbow: Improved Antibody Fab Fragments as Chaperones for Structure Determination.
J. Mol. Biol., 430, 2018
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5DD4
 | | Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, TRANSCRIPTIONAL REGULATOR AraR | | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
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5DDG
 | | The structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with target double strand DNA | | Descriptor: | DNA (27-MER), FORMIC ACID, MALONIC ACID, ... | | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
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5DEQ
 | | Crystal structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with L-arabinose | | Descriptor: | FORMIC ACID, SULFATE ION, TRANSCRIPTIONAL REGULATOR AraR, ... | | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-08-25 | | Release date: | 2015-10-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
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2BZ9
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6UG1
 | | Sequence impact in DNA duplex opening by the Rad4/XPC nucleotide excision repair complex | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*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*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | | Authors: | Paul, D, Min, J.-H. | | Deposit date: | 2019-09-25 | | Release date: | 2021-03-31 | | Last modified: | 2021-09-08 | | Method: | X-RAY DIFFRACTION (2.833 Å) | | Cite: | Impact of DNA sequences on DNA 'opening' by the Rad4/XPC nucleotide excision repair complex.
DNA Repair (Amst), 107, 2021
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2B23
 | | Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | Deposit date: | 2005-09-16 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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4HRE
 | | Crystal Structure of p11/Annexin A2 Heterotetramer in Complex with SMARCA3 Peptide | | Descriptor: | Annexin A2, Helicase-like transcription factor, Protein S100-A10 | | Authors: | Gao, P, Patel, D.J. | | Deposit date: | 2012-10-27 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7852 Å) | | Cite: | SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
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4HRH
 | | Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide | | Descriptor: | Helicase-like transcription factor, Protein S100-A10, Annexin A2, ... | | Authors: | Gao, P, Patel, D.J. | | Deposit date: | 2012-10-27 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
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4HRG
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