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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8B45
 | | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 | | Descriptor: | 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ... | | Authors: | Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N. | | Deposit date: | 2022-09-19 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
To Be Published
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6NP2
 | | AAC-VIa bound to Sisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, 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 (1.2 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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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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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: | 2024-10-09 | | 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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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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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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8GYR
 | | Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kumar, P, Akif, M. | | Deposit date: | 2022-09-23 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA, reveals the orientation of Ig-like domains.
Int.J.Biol.Macromol., 244, 2023
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1JW1
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1I6B
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3NQ4
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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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3LS6
 | | Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase in complex with sulfate and zinc | | Descriptor: | 3,4-Dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Kumar, P, Karthikeyan, S. | | Deposit date: | 2010-02-12 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2.
Proteins, 78, 2010
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3LQU
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3LRJ
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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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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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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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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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3BP7
 | | The high resolution crystal structure of HLA-B*2709 in complex with a Cathepsin A signal sequence peptide, pCatA | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A. | | Deposit date: | 2007-12-18 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
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3BP4
 | | The high resolution crystal structure of HLA-B*2705 in complex with a Cathepsin A signal sequence peptide pCatA | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A. | | Deposit date: | 2007-12-18 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
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3BXN
 | | The high resolution crystal structure of HLA-B*1402 complexed with a Cathepsin A signal sequence peptide, pCatA | | Descriptor: | Cathepsin A signal sequence octapeptide, GLYCEROL, HLA-B*1402 extracellular domain, ... | | Authors: | Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A. | | Deposit date: | 2008-01-14 | | Release date: | 2009-02-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.864 Å) | | Cite: | Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
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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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