3EDN
 
 | | Crystal structure of the Bacillus anthracis phenazine biosynthesis protein, PhzF family | | Descriptor: | MAGNESIUM ION, Phenazine biosynthesis protein, PhzF family, ... | | Authors: | Anderson, S.M, Brunzelle, J.S, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-09-03 | | Release date: | 2008-10-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the Bacillus anthracis phenazine biosynthesis protein, PhzF family
To be Published
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5T79
 | | X-Ray Crystal Structure of a Novel Aldo-keto Reductases for the Biocatalytic Conversion of 3-hydroxybutanal to 1,3-butanediol | | Descriptor: | Aldo-keto Reductase, OXIDOREDUCTASE, CHLORIDE ION, ... | | Authors: | Brunzelle, J.S, Wawrzak, Z, Evdokimova, E, Kudritska, M, Savchenko, A, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-09-02 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol.
Appl. Environ. Microbiol., 2017
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7JZ0
 | | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH). | | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of SARS-CoV-2 2'-O-methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design
Biorxiv, 2020
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4GYE
 | | MDR 769 HIV-1 Protease in Complex with Reduced P1F | | Descriptor: | P1F peptide, Protease | | Authors: | Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-09-05 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
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9C0O
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2W27
 | | CRYSTAL STRUCTURE OF THE BACILLUS SUBTILIS YKUI PROTEIN, WITH AN EAL DOMAIN, IN COMPLEX WITH SUBSTRATE C-DI-GMP AND CALCIUM | | Descriptor: | CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, YKUI PROTEIN | | Authors: | Padavattan, S, AndERSON, W.F, Schirmer, T. | | Deposit date: | 2008-10-24 | | Release date: | 2009-02-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Ykui and its Complex with Second Messenger C-Di-Gmp Suggests Catalytic Mechanism of Phosphodiester Bond Cleavage by Eal Domains.
J.Biol.Chem., 284, 2009
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4ETS
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3R0W
 | | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | | Deposit date: | 2011-03-09 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
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3SO9
 | | Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease | | Authors: | Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A. | | Deposit date: | 2011-06-30 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
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3R0Y
 | | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | | Deposit date: | 2011-03-09 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
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6WVN
 | | Crystal Structure of Nsp16-Nsp10 from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-Adenosylmethionine. | | Descriptor: | 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, ADENINE, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-06 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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6WQ3
 | | Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-adenosyl-L-homocysteine. | | Descriptor: | 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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6WRZ
 | | Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 with 7-methyl-GpppA and S-adenosyl-L-homocysteine in the Active Site and Sulfates in the mRNA Binding Groove. | | Descriptor: | 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-30 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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7JHG
 | | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-21 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
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7JHH
 | | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-21 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
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8DVX
 | | Structure of acetylated Pig somatic Cytochrome c (Aly39) at 1.5A | | Descriptor: | Cytochrome c, HEME C, HEXACYANOFERRATE(3-) | | Authors: | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | | Deposit date: | 2022-07-30 | | Release date: | 2023-07-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
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8DZL
 | | Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A | | Descriptor: | Cytochrome c, somatic, HEME C | | Authors: | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | | Deposit date: | 2022-08-08 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle.
Nat Commun, 14, 2023
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3OAI
 | | Crystal structure of the extra-cellular domain of human myelin protein zero | | Descriptor: | Maltose-binding periplasmic protein, Myelin protein P0, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Sohi, J, Kamholz, J, Kovari, L.C. | | Deposit date: | 2010-08-05 | | Release date: | 2011-12-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the extracellular domain of human myelin protein zero.
Proteins, 80, 2012
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4RRU
 | | Myc3 N-terminal JAZ-binding domain[5-242] from arabidopsis | | Descriptor: | CALCIUM ION, Transcription factor MYC3 | | Authors: | Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J.S, Zhou, M, Xu, H.E, Melcher, K, He, S.Y. | | Deposit date: | 2014-11-06 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
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4RS9
 | | Structure of Myc3 N-terminal JAZ-binding domain [44-238] in complex with Jas motif of JAZ9 | | Descriptor: | Protein TIFY 7, Transcription factor MYC3 | | Authors: | Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J.S, Zhou, M, Xu, H.E, Melcher, K, He, S.Y. | | Deposit date: | 2014-11-07 | | Release date: | 2015-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
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4EBF
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4E5K
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4E5N
 | | Thermostable phosphite dehydrogenase in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase | | Authors: | Zou, Y, Zhang, H, Nair, S.K. | | Deposit date: | 2012-03-14 | | Release date: | 2012-05-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
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4E5M
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4RIQ
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