2NST
 
 | | Crystal structure of pectin methylesterase D178A mutant in complex with hexasaccharide II | | Descriptor: | Pectinesterase A, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-methyl alpha-D-galactopyranuronate-(1-4)-alpha-D-galactopyranuronic acid | | Authors: | Fries, M, Brocklehurst, K, Shevchik, V.E, Pickersgill, R.W. | | Deposit date: | 2006-11-06 | | Release date: | 2007-09-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of the activity of the phytopathogen pectin methylesterase.
Embo J., 26, 2007
|
|
3NJP
 | | The Extracellular and Transmembrane Domain Interfaces in Epidermal Growth Factor Receptor Signaling | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, Epidermal growth factor receptor, ... | | Authors: | Lu, C, Mi, L.-Z, Grey, M.J, Zhu, J, Graef, E, Yokoyama, S, Springer, T.A. | | Deposit date: | 2010-06-17 | | Release date: | 2010-10-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.304 Å) | | Cite: | Structural evidence for loose linkage between ligand binding and kinase activation in the epidermal growth factor receptor.
Mol.Cell.Biol., 30, 2010
|
|
3NAN
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg | | Descriptor: | (3S,3aR,4S,6S,6aR,7S,8S,9R,9aS,9bS)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
|
|
2VEX
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | MAGNESIUM ION, N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
|
|
2VEV
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | MAGNESIUM ION, N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
|
|
4YWA
 | | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | | Descriptor: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin | | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.192 Å) | | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
|
|
9CWV
 | |
1RAQ
 | |
9D6C
 | | Gag CA-SP1 immature lattice bound with Lenacapavir and Bevirimat from enveloped virus like particles | | Descriptor: | 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Wu, C, Meuser, M.E, Xiong, Y. | | Deposit date: | 2024-08-14 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
|
|
4YUQ
 | | CDPK1 from Eimeria tenella in complex with inhibitor UW1354 | | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-like domain protein kinase | | Authors: | Merritt, E.A. | | Deposit date: | 2015-03-19 | | Release date: | 2016-04-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
|
|
9D6D
 | | Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles | | Descriptor: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | Authors: | Wu, C, Meuser, M.E, Xiong, Y. | | Deposit date: | 2024-08-14 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.18 Å) | | Cite: | Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
|
|
9D6E
 | | Gag CA-SP1 immature lattice bound with Bevirimat from enveloped virus like particles | | Descriptor: | 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | | Authors: | Wu, C, Meuser, M.E, Xiong, Y. | | Deposit date: | 2024-08-14 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
|
|
4YVB
 | | Structure of D128N streptavidin | | Descriptor: | BIOTIN, Streptavidin | | Authors: | Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P. | | Deposit date: | 2015-03-19 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | A Streptavidin Binding Site Mutation Yields an Unexpected Result
To Be Published
|
|
9D88
 | |
9DWD
 | | Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles (T8I) | | Descriptor: | Gag, INOSITOL HEXAKISPHOSPHATE, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | Authors: | Wu, C, Meuser, M.E, Xiong, Y. | | Deposit date: | 2024-10-09 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
|
|
2GD3
 | | NMR structure of S14G-humanin in 30% TFE solution | | Descriptor: | Humanin | | Authors: | Benaki, D, Zikos, C, Evangelou, A, Livaniou, E, Vlassi, M, Mikros, E, Pelecanou, M. | | Deposit date: | 2006-03-15 | | Release date: | 2006-09-19 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Ser14Gly-humanin, a potent rescue factor against neuronal cell death in Alzheimer's disease.
Biochem.Biophys.Res.Commun., 349, 2006
|
|
1KLI
 | | Cofactor-and substrate-assisted activation of factor VIIa | | Descriptor: | BENZAMIDINE, CALCIUM ION, GLYCEROL, ... | | Authors: | Sichler, K, Banner, D.W, D'Arcy, A, Hopfner, K.P, Huber, R, Bode, W, Kresse, G.B, Kopetzki, E, Brandstetter, H. | | Deposit date: | 2001-12-12 | | Release date: | 2002-09-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal Structure of Uninhibited Factor VIIa Link its Cofactor and Substrate-assisted Activation to Specific Interactions
J.Mol.Biol., 322, 2002
|
|
2V57
 | | Crystal structure of the TetR-like transcriptional regulator LfrR from Mycobacterium smegmatis in complex with proflavine | | Descriptor: | ISOPROPYL ALCOHOL, PROFLAVIN, SULFATE ION, ... | | Authors: | Bellinzoni, M, Buroni, S, Riccardi, G, De Rossi, E, Alzari, P.M. | | Deposit date: | 2008-10-02 | | Release date: | 2009-10-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Plasticity and Distinct Drug-Binding Modes of Lfrr, a Mycobacterial Efflux Pump Regulator.
J.Bacteriol., 191, 2009
|
|
3NE7
 | | Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a | | Descriptor: | ACETYLTRANSFERASE, BETA-MERCAPTOETHANOL, COENZYME A, ... | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-06-08 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
|
|
3I6A
 | | Human GST A1-1 GIMF mutant with Glutathione | | Descriptor: | GLUTATHIONE, Glutathione S-transferase A1 | | Authors: | Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M. | | Deposit date: | 2009-07-06 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
|
|
3HLN
 | | Crystal structure of ClpP A153C mutant with inter-heptamer disulfide bonds | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CALCIUM ION | | Authors: | Kimber, M.S, Yu, A.Y.H, Borg, M, Chan, H.S, Houry, W.A. | | Deposit date: | 2009-05-27 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and Theoretical Studies Indicate that the Cylindrical Protease ClpP Samples Extended and Compact Conformations.
Structure, 18, 2010
|
|
3NEM
 | | Aspartyl-tRNA synthetase complexed with aspartyl adenylate | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE, Aspartyl-tRNA synthetase, ... | | Authors: | Schmitt, E, Moras, D, Moulinier, L. | | Deposit date: | 2010-06-09 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of aspartyl-tRNA synthetase from Pyrococcus kodakaraensis KOD: archaeon specificity and catalytic mechanism of adenylate formation
Embo J., 17, 1998
|
|
3Q8M
 | | Crystal Structure of Human Flap Endonuclease FEN1 (D181A) in complex with substrate 5'-flap DNA and K+ | | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | | Authors: | Tsutakawa, S.E, Classen, S, Chapados, B.R, Arvai, A, Finger, D.L, Guenther, G, Tomlinson, C.G, Thompson, P, Sarker, A.H, Shen, B, Cooper, P.K, Grasby, J.A, Tainer, J.A. | | Deposit date: | 2011-01-06 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily.
Cell(Cambridge,Mass.), 145, 2011
|
|
2WBY
 | | Crystal structure of human insulin-degrading enzyme in complex with insulin | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, INSULIN-DEGRADING ENZYME, ... | | Authors: | Manolopoulou, M, Guo, Q, Malito, E, Schilling, A.B, Tang, W.J. | | Deposit date: | 2009-03-06 | | Release date: | 2009-03-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Basis of Catalytic Chamber-Assisted Unfolding and Cleavage of Human Insulin by Human Insulin Degrading Enzyme.
J.Biol.Chem., 284, 2009
|
|
2WG8
 | | Structure of Oryza Sativa (Rice) PLA2, orthorhombic crystal form | | Descriptor: | CALCIUM ION, PUTATIVE PHOSPHOLIPASE A2, SODIUM ION | | Authors: | Guy, J.E, Stahl, U, Lindqvist, Y. | | Deposit date: | 2009-04-16 | | Release date: | 2009-06-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of a Class Xib Phospholipase A2 (Pla2): Rice (Oryza Sativa) Isoform-2 Pla2 and an Octanoate Complex.
J.Biol.Chem., 284, 2009
|
|
