3MK3
| Crystal structure of Lumazine synthase from Salmonella typhimurium LT2 | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, SULFATE ION | Authors: | Kumar, P, Singh, M, Karthikeyan, S. | Deposit date: | 2010-04-14 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.569 Å) | Cite: | Crystal structure analysis of icosahedral lumazine synthase from Salmonella typhimurium, an antibacterial drug target. Acta Crystallogr.,Sect.D, 67, 2011
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5DUJ
| Crystal structure of ldtMt2 in complex with Faropenem adduct | Descriptor: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, BETA-MERCAPTOETHANOL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Lamichhane, G. | Deposit date: | 2015-09-18 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5DU7
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5E1I
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210 | Descriptor: | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5DVP
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ... | Authors: | Kumar, P, Lamichhane, G. | Deposit date: | 2015-09-21 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5E1G
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T208 | Descriptor: | (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5DZP
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation B | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5E5L
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5E51
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct | Descriptor: | (3R)-3-hydroxybutanal, L,D-transpeptidase 1 | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | Deposit date: | 2015-10-07 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5DZJ
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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1I6B
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1JW1
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8BFD
| Racemic structure of PK-7 (310HD-U2U5) | Descriptor: | 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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8BFE
| A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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3H3U
| Crystal structure of CRP (cAMP receptor Protein) from Mycobacterium tuberculosis | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY CRP/FNR-FAMILY), SULFATE ION | Authors: | Kumar, P, Joshi, D.C, Akif, M, Akhter, Y, Hasnain, S.E, Mande, S.C. | Deposit date: | 2009-04-17 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mapping conformational transitions in cyclic AMP receptor protein: crystal structure and normal-mode analysis of Mycobacterium tuberculosis apo-cAMP receptor protein Biophys.J., 98, 2010
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4R62
| Structure of Rad6~Ub | Descriptor: | ACETATE ION, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 2 | Authors: | Kumar, P, Wolberger, C. | Deposit date: | 2014-08-22 | Release date: | 2015-09-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity. Nucleic Acids Res., 43, 2015
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6A80
| Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with cystine | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-05 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
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6A8S
| Crystal Structure of the putative amino acid-binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Cysteine | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-10 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
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6AA1
| Crystal structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus bound with citrate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-16 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
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6AAL
| Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Arginine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ARGININE, ... | Authors: | Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. | Deposit date: | 2018-07-18 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
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3CTO
| Crystal Structure of M. tuberculosis YefM antitoxin | Descriptor: | SULFATE ION, Uncharacterized protein Rv3357/MT3465 | Authors: | Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C. | Deposit date: | 2008-04-14 | Release date: | 2008-12-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein J.Mol.Biol., 383, 2008
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3D55
| Crystal structure of M. tuberculosis YefM antitoxin | Descriptor: | SULFATE ION, Uncharacterized protein Rv3357/MT3465 | Authors: | Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C. | Deposit date: | 2008-05-15 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein J.Mol.Biol., 383, 2008
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6NP5
| AAC-VIa bound to Kanamycin B | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.353 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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3BO8
| The High Resolution Crystal Structure of HLA-A1 Complexed with the MAGE-A1 Peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Kumar, P, Vahedi-Faridi, A, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2007-12-17 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational changes within the HLA-A1:MAGE-A1 complex induced by binding of a recombinant antibody fragment with TCR-like specificity Protein Sci., 18, 2009
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5WXU
| 11S globulin from Wrightia tinctoria reveals auxin binding site | Descriptor: | 11S globulin, 1H-INDOL-3-YLACETIC ACID, CITRATE ANION, ... | Authors: | Kumar, P, Kesari, P, Dhindwal, S, Kumar, P. | Deposit date: | 2017-01-09 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A novel function for globulin in sequestering plant hormone: Crystal structure of Wrightia tinctoria 11S globulin in complex with auxin. Sci Rep, 7, 2017
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