4DSU
 
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4DST
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1Q3O
 | | Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization | | Descriptor: | BROMIDE ION, Shank1 | | Authors: | Im, Y.J, Lee, J.H, Park, S.H, Park, S.J, Rho, S.-H, Kang, G.B, Kim, E, Eom, S.H. | | Deposit date: | 2003-07-31 | | Release date: | 2004-01-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization
J.Biol.Chem., 278, 2003
|
|
4OQ7
 | |
1SQN
 | | Progesterone Receptor Ligand Binding Domain with bound Norethindrone | | Descriptor: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, progesterone receptor | | Authors: | Williams, S.P, Madauss, K.P, Deng, J.-S, Austin, R.J.H, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J. | | Deposit date: | 2004-03-19 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
|
|
4I6J
 | | A ubiquitin ligase-substrate complex | | Descriptor: | Cryptochrome-2, F-box/LRR-repeat protein 3, S-phase kinase-associated protein 1 | | Authors: | Xing, W, Busino, L, Hinds, T.R, Marionni, S.T, Saifee, N.H, Bush, M.F, Pagano, M, Zheng, N. | | Deposit date: | 2012-11-29 | | Release date: | 2013-03-13 | | Last modified: | 2013-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | SCFFBXL3 ubiquitin ligase targets cryptochromes at their cofactor pocket.
Nature, 496, 2013
|
|
5HCM
 | |
3E9D
 | | Structure of full-length TIGAR from Danio rerio | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Zgc:56074 | | Authors: | Li, H, Jogl, G. | | Deposit date: | 2008-08-21 | | Release date: | 2008-12-16 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | TIGAR (TP53 induced glycolysis and apoptosis regulator) is a fructose-2,6- and fructose-1,6-bisphosphatase
To be Published
|
|
3BQD
 | | Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol | | Descriptor: | 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1 | | Authors: | Xu, H.E. | | Deposit date: | 2007-12-20 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol.
Mol.Cell.Biol., 28, 2008
|
|
5XDH
 | | His/DOPA ligated cytochrome c from an anammox organism KSU-1 | | Descriptor: | ACETATE ION, HEME C, Putative cytochrome c, ... | | Authors: | Hira, D, Kitamura, R, Nakamura, T, Yamagata, Y, Furukawa, K, Fujii, T. | | Deposit date: | 2017-03-28 | | Release date: | 2018-03-28 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Anammox Organism KSU-1 Expresses a Novel His/DOPA Ligated Cytochrome c.
J. Mol. Biol., 430, 2018
|
|
3B6T
 | | Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686A Mutant in Complex with Quisqualate at 2.1 Resolution | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 2, SULFATE ION | | Authors: | Cho, Y, Lolis, E, Howe, J.R. | | Deposit date: | 2007-10-29 | | Release date: | 2008-02-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating.
J.Neurosci., 28, 2008
|
|
4BBN
 | | NEDD4 HECT-Ub:Ub complex | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE NEDD4, POLYUBIQUITIN-B | | Authors: | Maspero, E, Valentini, E, Mari, S, Cecatiello, V, Polo, S, Pasqualato, S. | | Deposit date: | 2012-09-27 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of a Ubiquitin-Loaded Hect Ligase Reveals the Molecular Basis for Catalytic Priming
Nat.Struct.Mol.Biol., 20, 2013
|
|
6HK4
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
5XUA
 | |
8K5O
 | | Cryo-EM structure of the RC-LH core comples from Halorhodospira halochloris | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ... | | Authors: | Wang, G.-L, Qi, C.-H, Yu, L.-J. | | Deposit date: | 2023-07-22 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
J Integr Plant Biol, 2024
|
|
3M9X
 | |
3MA0
 | |
6HK3
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
6HK7
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
5MXB
 | | Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin | | Descriptor: | Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, SODIUM ION, ... | | Authors: | Sliwiak, J, Sikorski, M, Jaskolski, M. | | Deposit date: | 2017-01-22 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
|
|
5MXW
 | | Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin and trans-zeatin. | | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | Authors: | Sliwiak, J, Sikorski, M, Jaskolski, M. | | Deposit date: | 2017-01-25 | | Release date: | 2018-04-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
|
|
5MQ0
 | | Structure of a spliceosome remodeled for exon ligation | | Descriptor: | 3'-EXON OF UBC4 PRE-MRNA, BOUND BY PRP22 HELICASE, 5'-EXON OF UBC4 PRE-MRNA, ... | | Authors: | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | | Deposit date: | 2016-12-19 | | Release date: | 2017-01-18 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
|
|
5HCJ
 | | Cationic Ligand-Gated Ion Channel | | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ... | | Authors: | Shahsavar, A, Sauguet, L, Delarue, M. | | Deposit date: | 2016-01-04 | | Release date: | 2016-04-13 | | Last modified: | 2016-04-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel.
Structure, 24, 2016
|
|
3M9W
 | |
3B6Q
 | |
