8EW4
 
 | | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1 | | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | | Authors: | Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-10-21 | | Release date: | 2022-11-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
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8EY5
 | | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3 | | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | | Authors: | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-10-26 | | Release date: | 2022-11-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
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8F09
 | | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium | | Descriptor: | Dihydrofolate reductase, SULFATE ION | | Authors: | Stogios, P.J, Evdokimova, D, Borek, D, Di Leo, R, Semper, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-02 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of a trimethoprim-resistant dihydrofolate reductase (DHFR) enzyme from an uncultured soil bacterium
To Be Published
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8EWO
 | | Crystal structure of putative glyoxylase II from Pseudomonas aeruginosa | | Descriptor: | CHLORIDE ION, GLYCEROL, PA1813, ... | | Authors: | Stogios, P.J, Skarina, T, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-10-24 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of putative glyoxylase II from Pseudomonas aeruginosa
To Be Published
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8F4Y
 | | Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10 | | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-11 | | Release date: | 2023-10-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
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8F4S
 | | Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16 | | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
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9DRS
 | | Crystal structure of M. tuberculosis PheRS-tRNA complex bound to inhibitor D-116 | | Descriptor: | 1,2-ETHANEDIOL, 1H-benzimidazol-2-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Gade, P, Chang, C, Forte, B, Wower, J, Gilbert, I.H, Baragana, B, Michalska, K, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-09-26 | | Release date: | 2025-02-12 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase.
Eur.J.Med.Chem., 287, 2025
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9DRV
 | | Crystal structure of M. tuberculosis PheRS-tRNA complex bound to inhibitor D-004 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Gade, P, Chang, C, Forte, B, Wower, J, Gilbert, I.H, Baragana, B, Michalska, K, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-09-26 | | Release date: | 2025-02-12 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase.
Eur.J.Med.Chem., 287, 2025
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9DRT
 | | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and fragment DDD00805735 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Chang, C, Michalska, K, Forte, B, Baragana, B, Gilbert, I.H, Wower, J, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-09-26 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase.
Eur.J.Med.Chem., 287, 2025
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9EDY
 | | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 2b: 6-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine | | Descriptor: | 6-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, CHLORIDE ION, non-specific serine/threonine protein kinase | | Authors: | Stogios, P.J, Whitesell, L, Cowen, L.E, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-11-18 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 2b: 6-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
To Be Published
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9EDV
 | | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 1e: 2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile | | Descriptor: | 2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile, CHLORIDE ION, non-specific serine/threonine protein kinase | | Authors: | Stogios, P.J, Whitesell, L, Cowen, L.E, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-11-18 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 1e: 2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile
To Be Published
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9EDX
 | | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 2a: 2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-6-carbonitrile | | Descriptor: | 2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-6-carbonitrile, CHLORIDE ION, non-specific serine/threonine protein kinase | | Authors: | Stogios, P.J, Whitesell, L, Cowen, L.E, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-11-18 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 2a: 2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-6-carbonitrile
To Be Published
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9EDW
 | | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 1f: 7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine | | Descriptor: | 7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine, CHLORIDE ION, Non-specific serine/threonine protein kinase | | Authors: | Stogios, P.J, Whitesell, L, Cowen, L.E, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-11-18 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of Yck2 from Candida albicans in complex with inhibitor 1f: 7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
To Be Published
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8SCD
 | | Crystal structure of sulfonamide resistance enzyme Sul3 in complex with reaction intermediate | | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2023-04-05 | | Release date: | 2023-05-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
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8SMQ
 | | Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
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8U00
 | | Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2023-08-28 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
To Be Published
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8U12
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8UFB
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8UFC
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8UFA
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9AVI
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9BHE
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9BHC
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9BZQ
 | | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-24 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam
To Be Published
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9BZN
 | | High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50 | | Descriptor: | FORMIC ACID, SULFATE ION, class A Beta-lactamase, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-24 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50
To Be Published
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