7ZI2
 
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi2 inhibitor | | Descriptor: | Deoxycytidine kinase, N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
|
|
7ZI5
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor | | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
|
|
7ZI7
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor | | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
|
|
7ZIA
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor | | Descriptor: | 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
|
|
7ZIB
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor | | Descriptor: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
|
|
7ZI8
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor | | Descriptor: | 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
|
|
1LB7
 | | IGF-F1-1, A PEPTIDE ANTAGONIST OF IGF-1 | | Descriptor: | IGF-1 ANTAGONIST F1-1 | | Authors: | Deshayes, K, Schaffer, M.L, Skelton, N.J, Nakamura, G.R, Kadkhodayan, S, Sidhu, S.S. | | Deposit date: | 2002-04-02 | | Release date: | 2002-06-19 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Rapid identification of small binding motifs with high-throughput phage display: discovery of peptidic antagonists of IGF-1 function.
Chem.Biol., 9, 2002
|
|
1ICL
 | |
1ICO
 | |
1N0A
 | |
2XWH
 | | HCV-J6 NS5B polymerase structure at 1.8 Angstrom | | Descriptor: | DI(HYDROXYETHYL)ETHER, POLYETHYLENE GLYCOL (N=34), RNA DEPENDENT RNA POLYMERASE | | Authors: | Scrima, N, Bressanelli, S. | | Deposit date: | 2010-11-03 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Comprehensive Structure-Function Comparison of Hepatitis C Virus Strains Jfh1 and J6 Polymerases Reveals a Key Residue Stimulating Replication in Cell Culture Across Genotypes.
J.Virol., 85, 2011
|
|
1IC9
 | |
6B17
 | | Design of a short thermally stable alpha-helix embedded in a macrocycle | | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | | Deposit date: | 2017-09-17 | | Release date: | 2018-02-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
|
|
6ANF
 | | Design of a short thermo-stable alpha-helix embedded in a macrocycle | | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | | Deposit date: | 2017-08-13 | | Release date: | 2018-02-21 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
|
|
5OD1
 | | Structure of the engineered metalloesterase MID1sc10 complexed with a phosphonate transition state analogue | | Descriptor: | GLYCEROL, MID1sc10, ZINC ION, ... | | Authors: | Mittl, P.R.E, Studer, S, Hansen, D.A, Hilvert, D. | | Deposit date: | 2017-07-04 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
|
|
7YH8
 | | Crystal structure of a heterochiral protein complex | | Descriptor: | D-Pep-1, L-19437 | | Authors: | Liang, M, Li, S, Wang, T, Liu, L, Lu, P. | | Deposit date: | 2022-07-13 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a heterochiral protein complex
To Be Published
|
|
1VJQ
 | |
5MFI
 | | Designed armadillo repeat protein YIII(Dq.V2)4CqI in complex with peptide (KR)4 | | Descriptor: | (KR)4, YIII(Dq.V2)4CqI | | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | | Deposit date: | 2016-11-18 | | Release date: | 2017-09-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
|
|
3H5F
 | | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. | | Descriptor: | ACETATE ION, CHLORIDE ION, COIL SER L16L-Pen, ... | | Authors: | Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2009-04-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
3H5G
 | |
3A1B
 | | Crystal structure of the DNMT3A ADD domain in complex with histone H3 | | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, Histone H3.1, ... | | Authors: | Otani, J, Arita, K, Ariyoshi, M, Shirakawa, M. | | Deposit date: | 2009-03-28 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain
Embo Rep., 10, 2009
|
|
3A1A
 | | Crystal Structure of the DNMT3A ADD domain | | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, ZINC ION | | Authors: | Otani, J, Arita, K, Ariyoshi, M, Shirakawa, M. | | Deposit date: | 2009-03-28 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain
Embo Rep., 10, 2009
|
|
3CBA
 | |
3CAY
 | | Crystal structure of Lipopeptide Detergent (LPD-12) | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LPD-12 | | Authors: | Ho, D.N, Pomroy, N.C, Cuesta-Seijo, J.A, Prive, G.G. | | Deposit date: | 2008-02-20 | | Release date: | 2008-09-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of a self-assembling lipopeptide detergent at 1.20 A.
Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
4TQL
 | | Computationally designed three helix bundle | | Descriptor: | Three helix bundle | | Authors: | Nannenga, B.L, Oberdorfer, G, DiMaio, F, Baker, D, Gonen, T. | | Deposit date: | 2014-06-11 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | High thermodynamic stability of parametrically designed helical bundles.
Science, 346, 2014
|
|
