9DU2
 
 | | SARS-CoV-2 Mpro in complex with compound 7 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
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9DU3
 | | SARS-CoV-2 Mpro in complex with compound 1 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-hydroxy-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
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9DU4
 | | SARS-CoV-2 Mpro in complex with compound 3 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-{[(2R)-1-hydroxy-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
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9DTZ
 | | SARS-CoV-2 Mpro in complex with compound 5 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide, SODIUM ION | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
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3K6A
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4LPQ
 | | Crystal structure of the L,D-transpeptidase (residues 123-326) from Xylanimonas cellulosilytica DSM 15894 | | Descriptor: | CHLORIDE ION, ErfK/YbiS/YcfS/YnhG family protein | | Authors: | Nocek, B, Bigelow, L, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-07-16 | | Release date: | 2013-11-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structure of the L,D-transpeptidase (residues 123-326) from Xylanimonas cellulosilytica DSM 15894
To be Published
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6QKY
 | | Tryptophan synthase subunit alpha from Streptococcus pneumoniae with 3D domain swap in the core of TIM barrel | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Michalska, K, Kowiel, M, Bigelow, L, Endres, M, Gilski, M, Jaskolski, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-01-30 | | Release date: | 2019-03-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | 3D domain swapping in the TIM barrel of the alpha subunit of Streptococcus pneumoniae tryptophan synthase.
Acta Crystallogr D Struct Biol, 76, 2020
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2G03
 | | Structure of a putative cell filamentation protein from Neisseria meningitidis. | | Descriptor: | ACETIC ACID, ISOPROPYL ALCOHOL, hypothetical protein NMA0004 | | Authors: | Cuff, M.E, Bigelow, L, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-02-10 | | Release date: | 2006-03-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a putative cell filamentation protein from Neisseria meningitidis.
To be Published
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3CDL
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3CO5
 | | Crystal structure of sigma-54 interaction domain of putative transcriptional response regulator from Neisseria gonorrhoeae | | Descriptor: | BETA-MERCAPTOETHANOL, Putative two-component system transcriptional response regulator | | Authors: | Osipiuk, J, Hendricks, R, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-03-27 | | Release date: | 2008-04-08 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystal structure of Sigma-54 interaction domain of putative transcriptional response regulator from Neisseria gonorrhoeae.
To be Published
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6ONY
 | | BRD2_Bromodomain1 complex with inhibitor 744 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | Authors: | Longenecker, K.L, Bigelow, L. | | Deposit date: | 2019-04-22 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
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2R39
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2QSW
 | | Crystal structure of C-terminal domain of ABC transporter / ATP-binding protein from Enterococcus faecalis | | Descriptor: | GLYCEROL, Methionine import ATP-binding protein metN 2, ZINC ION | | Authors: | Osipiuk, J, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-07-31 | | Release date: | 2007-08-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray structure of C-terminal domain of ABC transporter / ATP-binding protein from Enterococcus faecalis.
To be Published
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7LAW
 | | crystal structure of GITR complex with GITR-L | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | | Authors: | Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H. | | Deposit date: | 2021-01-07 | | Release date: | 2022-03-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.752 Å) | | Cite: | An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy.
Nat Cancer, 3, 2022
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6E6J
 | | BRD2_Bromodomain2 complex with inhibitor 744 | | Descriptor: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | Authors: | Longenecker, K.L, Park, C.H, Bigelow, L. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
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2R5R
 | | The crystal structure of DUF198 from Nitrosomonas europaea ATCC 19718 | | Descriptor: | IMIDAZOLE, PHOSPHATE ION, UPF0343 protein NE1163 | | Authors: | Tan, K, Wu, R, Nocek, B, Bigelow, L, Patterson, S, Freeman, L, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-09-04 | | Release date: | 2007-09-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | The crystal structure of DUF198 from Nitrosomonas europaea ATCC 19718.
To be Published
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5I2H
 | | Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin | | Descriptor: | 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, FORMIC ACID, ... | | Authors: | Chang, C, Duke, N, Bigelow, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-02-08 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin.
To Be Published
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6NTR
 | | Crystal Structure of Beta-barrel-like Protein of Domain of Unknown Function DUF1849 from Brucella abortus | | Descriptor: | 1,2-ETHANEDIOL, ATP/GTP-binding site-containing protein A, GLYCEROL | | Authors: | Kim, Y, Bigelow, L, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2019-01-30 | | Release date: | 2019-02-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | BrucellaPeriplasmic Protein EipB Is a Molecular Determinant of Cell Envelope Integrity and Virulence.
J.Bacteriol., 201, 2019
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4XR9
 | | Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose | | Descriptor: | CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-01-20 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of CalS8 from Micromonospora echinospora
To Be Published
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4XRR
 | | Crystal structure of cals8 from micromonospora echinospora (P294S mutant) | | Descriptor: | CalS8, GLYCEROL | | Authors: | Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-01-21 | | Release date: | 2015-02-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Characterization of CalS8, a TDP-alpha-D-Glucose Dehydrogenase Involved in Calicheamicin Aminodideoxypentose Biosynthesis.
J. Biol. Chem., 290, 2015
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6AZY
 | | Crystal structure of Hsp104 R328M/R757M mutant from Calcarisporiella thermophila | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein Hsp104 | | Authors: | Michalska, K, Bigelow, L, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-09-13 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Structure, 27, 2019
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2A5Z
 | | Crystal Structure of Protein of Unknown Function SO2946 from Shewanella oneidensis MR-1 | | Descriptor: | MAGNESIUM ION, hypothetical protein SO2946 | | Authors: | Nocek, B, Bigelow, L, Abdullah, J, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-07-01 | | Release date: | 2005-08-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Structure of SO2946 orphan from Shewanella oneidensis shows "jelly-roll" fold with carbohydrate-binding module.
J.STRUCT.FUNCT.GENOM., 9, 2008
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3BS3
 | | Crystal structure of a putative DNA-binding protein from Bacteroides fragilis | | Descriptor: | 1,2-ETHANEDIOL, Putative DNA-binding protein, SULFATE ION | | Authors: | Cuff, M.E, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-12-21 | | Release date: | 2008-01-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The structure of a putative DNA-binding protein from Bacteroides fragilis.
TO BE PUBLISHED
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2BBE
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2H5N
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