8D1Q
| Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 8-Aminoadenosine | Descriptor: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues. Front Mol Biosci, 9, 2022
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8D20
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8D22
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8D1Y
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8D1S
| Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin | Descriptor: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues. Front Mol Biosci, 9, 2022
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8D24
| Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008 | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Park, H.W. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues. Front Mol Biosci, 9, 2022
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5D1R
| Crystal structure of Mycobacterium tuberculosis Rv1816 transcriptional regulator. | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Rv1816 transcriptional regulator, ... | Authors: | Chou, T.-H, Delmar, J, Su, C.-C, Yu, E. | Deposit date: | 2015-08-04 | Release date: | 2015-09-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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5D18
| Crystal structure of Mycobacterium tuberculosis Rv0302, form I | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Chou, T.-H, Delmar, J, Su, C.-C, Yu, E. | Deposit date: | 2015-08-04 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of the Mycobacterium tuberculosis transcriptional regulator Rv0302. Protein Sci., 2015
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5D19
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5D1W
| Crystal structure of Mycobacterium tuberculosis Rv3249c transcriptional regulator. | Descriptor: | PALMITIC ACID, Rv3249c transcriptional regulator | Authors: | Chou, T.-H, Delmar, J, Su, C.-C, Yu, E. | Deposit date: | 2015-08-04 | Release date: | 2015-09-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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7EWO
| Crystal Structure of D67A, E68P double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae | Descriptor: | Cysteine synthase | Authors: | Rahisuddin, R, Ekka, M.K, Singh, A.K, Saini, N, Patel, M, Kumar, N, Kumaran, S. | Deposit date: | 2021-05-25 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of D67A, E68P double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae To Be Published
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3FOQ
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6KDU
| Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | Deposit date: | 2019-07-02 | Release date: | 2020-07-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol, 77, 2021
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6KSD
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6KRH
| Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | Deposit date: | 2019-08-21 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol, 77, 2021
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6KSC
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4R1I
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7K2V
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7K1W
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7K1Y
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7LTJ
| Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040 | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-02-19 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. J.Chem.Inf.Model., 62, 2022
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4R0C
| Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology | Descriptor: | AbgT putative transporter family, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ... | Authors: | Su, C.-C, Bolla, J.R, Yu, E.W. | Deposit date: | 2014-07-30 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.963 Å) | Cite: | Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology. Nat Commun, 6, 2015
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4JUE
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4M1N
| Crystal structure of Plasmodium falciparum ubiquitin conjugating enzyme UBC9 | Descriptor: | SODIUM ION, Ubiquitin conjugating enzyme UBC9 | Authors: | Boucher, L.E, Reiter, K.H, Bosch, J, Matunis, J.M. | Deposit date: | 2013-08-03 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Biochemically Distinct Properties of the Small Ubiquitin-related Modifier (SUMO) Conjugation Pathway in Plasmodium falciparum. J.Biol.Chem., 288, 2013
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4NB5
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