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 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding.
Iscience, 28, 2025
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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 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding.
Iscience, 28, 2025
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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 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding.
Iscience, 28, 2025
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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 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding.
Iscience, 28, 2025
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3M05
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4GCN
 | | N-terminal domain of stress-induced protein-1 (STI-1) from C.elegans | | Descriptor: | Protein STI-1, TRIETHYLENE GLYCOL | | Authors: | Osipiuk, J, Bigelow, L, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-07-30 | | Release date: | 2012-08-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | N-terminal domain of stress-induced protein-1 (STI-1) from C.elegans
To be Published
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2OX6
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5K0M
 | | Targeting the PRC2 complex through a novel protein-protein interaction inhibitor of EED | | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Bigelow, L.J, Zhu, H, Sun, C. | | Deposit date: | 2016-05-17 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
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2P0T
 | | Structural Genomics, the crystal structure of a conserved putative protein from Pseudomonas syringae pv. tomato str. DC3000 | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, UPF0307 protein PSPTO_4464 | | Authors: | Tan, K, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-03-01 | | Release date: | 2007-04-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The crystal structure of a conserved putative protein from Pseudomonas syringae pv. tomato str. DC3000
To be Published
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9Y12
 | | Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase (GNAT) family protein, ... | | Authors: | Kim, Y, Bigelow, L, Clancy, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2025-08-29 | | Release date: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis
To Be Published
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5KCK
 | | Crystal structure of anthranilate synthase component I from Streptococcus pneumoniae TIGR4 | | Descriptor: | Anthranilate synthase component I, GLYCEROL | | Authors: | Chang, C, Michalska, K, Bigelow, L, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-06-06 | | Release date: | 2016-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of anthranilate synthase component I from Streptococcus pneumoniae TIGR4
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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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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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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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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3IPJ
 | | The crystal structure of one domain of the PTS system, IIabc component from Clostridium difficile | | Descriptor: | PTS system, IIabc component, ZINC ION | | Authors: | Zhang, R, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-08-17 | | Release date: | 2009-10-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The crystal structure of one domain of the PTS system, IIabc component from Clostridium difficile
To be Published
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5KIN
 | | Crystal structure of tryptophan synthase alpha beta complex from Streptococcus pneumoniae | | Descriptor: | GLYCEROL, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | | Authors: | Chang, C, Michalska, K, Bigelow, L, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-06-16 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Conservation of the structure and function of bacterial tryptophan synthases.
Iucrj, 6, 2019
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3ILX
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3ISR
 | | The Crystal Structure of a Putative Cysteine Protease from Cytophaga hutchinsonii to 1.9A | | Descriptor: | Transglutaminase-like enzymes, putative cysteine protease | | Authors: | Stein, A.J, Bigelow, L, Trevino, D, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-08-27 | | Release date: | 2009-09-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal Structure of a Putative Cysteine Protease from Cytophaga hutchinsonii to 1.9A
To be Published
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5DU2
 | | Structural analysis of EspG2 glycosyltransferase | | Descriptor: | EspG2 glycosyltransferase | | Authors: | Michalska, K, Elshahawi, S.I, Bigelow, L, Babnigg, G, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-09-18 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of EspG2 glycosyltransferase
To Be Published
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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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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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4GCO
 | | Central domain of stress-induced protein-1 (STI-1) from C.elegans | | Descriptor: | Protein STI-1 | | Authors: | Osipiuk, J, Bigelow, L, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-07-30 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Central domain of stress-induced protein-1 (STI-1) from C.elegans
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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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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