5M00
 
 | | Crystal structure of murine P14 TCR complex with H-2Db and Y4A, modified gp33 peptide from LCMV | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Achour, A, Sandalova, T, Sun, R, Han, X. | | Deposit date: | 2016-10-03 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published
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1OX6
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6I76
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-3 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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1OX4
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5EKA
 | | HU DNA-binding protein from Thermus thermophilus | | Descriptor: | DNA-binding protein HU, GLYCEROL | | Authors: | Papageorgiou, A, Adam, P, Stavros, P, Nounesis, G, Meijers, R, Petratos, K, Vorgias, C.E. | | Deposit date: | 2015-11-03 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | HU histone-like DNA-binding protein from Thermus thermophilus: structural and evolutionary analyses.
Extremophiles, 20, 2016
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6I77
 | | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.219 Å) | | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
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8IZF
 | | Cryo-EM structure of the Lac1-Lip1 (Lip1-S74F) complex | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1 | | Authors: | Xie, T, Fang, Q, Gong, X. | | Deposit date: | 2023-04-07 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
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5LOY
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5LVZ
 | | Crystal structure of yeast 14-3-3 protein from Lachancea thermotolerans | | Descriptor: | KLTH0G14146p | | Authors: | Klima, M, Boura, E. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of a yeast 14-3-3 protein from Lachancea thermotolerans in the unliganded form and bound to a human lipid kinase PI4KB-derived peptide reveal high evolutionary conservation.
Acta Crystallogr.,Sect.F, 72, 2016
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1RB0
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4IX9
 | | Crystal structure of subunit F of V-ATPase from S. cerevisiae | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, V-type proton ATPase subunit F | | Authors: | Basak, S, Balakrishna, A.M, Manimekalai, M.S.S, Gruber, G. | | Deposit date: | 2013-01-24 | | Release date: | 2013-03-20 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal and NMR structures give insights into the role and dynamics of subunit F of the eukaryotic V-ATPase from Saccharomyces cerevisiae
J.Biol.Chem., 288, 2013
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6ID4
 | | Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01 | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Lescar, J, Wong, Y.H, Liew, C.W, Gu, Y, MacAry, P.A. | | Deposit date: | 2018-09-08 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01.
Nat Commun, 10, 2019
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7NLV
 | | WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II | | Descriptor: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin | | Authors: | Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
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4GR2
 | | Structure of AtRbcX1 from Arabidopsis thaliana. | | Descriptor: | AtRbcX1 | | Authors: | Golik, P, Grudnik, P, Kolesinski, P, Dubin, G, Szczepaniak, A. | | Deposit date: | 2012-08-24 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into eukaryotic Rubisco assembly - Crystal structures of RbcX chaperones from Arabidopsis thaliana.
Biochim.Biophys.Acta, 1830, 2013
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3N5N
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4JT0
 | | Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | | Deposit date: | 2013-03-22 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.
J.Med.Chem., 56, 2013
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7EHZ
 | | Structure of human NNMT in complex with macrocyclic peptide 2 | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 2 | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-30 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
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7EGU
 | | Structure of human NNMT in complex with macrocyclic peptide X | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide X | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-26 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
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7Z5S
 | | Crystal Structure of botulinum neurotoxin A2 cell binding domain in complex with GD1a | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin, HEXAETHYLENE GLYCOL, ... | | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M, Mahadeva, T.B. | | Deposit date: | 2022-03-10 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Features of Clostridium botulinum Neurotoxin Subtype A2 Cell Binding Domain.
Toxins, 14, 2022
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7Z5T
 | | Crystal Structure of botulinum neurotoxin A2 cell binding domain | | Descriptor: | ACETATE ION, Botulinum neurotoxin, PENTAETHYLENE GLYCOL | | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M, Mahadeva, T.B. | | Deposit date: | 2022-03-10 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural Features of Clostridium botulinum Neurotoxin Subtype A2 Cell Binding Domain.
Toxins, 14, 2022
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7NA5
 | | Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen | | Descriptor: | 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ... | | Authors: | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | | Deposit date: | 2021-06-19 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI
To be Published
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2BBD
 | | Crystal Structure of the STIV MCP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, coat protein | | Authors: | Khayat, R. | | Deposit date: | 2005-10-17 | | Release date: | 2005-12-06 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of an archaeal virus capsid protein reveals a common ancestry to eukaryotic and bacterial viruses.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4GDE
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7EI2
 | | Structure of human NNMT in complex with macrocyclic peptide 8 | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 8 | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-30 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
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2YPQ
 | | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with tryptophan and tyrosine bound | | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J. | | Deposit date: | 2012-10-31 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
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