8R3D
 
 | | Crystal structure of Pent only at pH 8.8 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller | | Authors: | Flood, R.J, Crowley, P.B. | | Deposit date: | 2023-11-08 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
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1S72
 | | REFINED CRYSTAL STRUCTURE OF THE HALOARCULA MARISMORTUI LARGE RIBOSOMAL SUBUNIT AT 2.4 ANGSTROM RESOLUTION | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L11P, ... | | Authors: | Klein, D.J, Schmeing, T.M, Moore, P.B, Steitz, T.A. | | Deposit date: | 2004-01-28 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Roles of Ribosomal Proteins in the Structure, Assembly and Evolution of the Large Ribosomal Subunit
J.Mol.Biol., 340, 2004
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7ZJ6
 | | X-31 Hemagglutinin Precursor HA0 at pH 7.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | | Authors: | Garcia-Moro, E, Rosenthal, P.B. | | Deposit date: | 2022-04-08 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
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168D
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8R18
 | | Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide | | Descriptor: | (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | | Deposit date: | 2023-11-01 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
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8FUT
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2P66
 | | Human DNA Polymerase beta complexed with tetrahydrofuran (abasic site) containing DNA | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(P*(3DR)P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Prasad, R, Batra, V.K, Yang, X.-P, Krahn, J.M, Pedersen, L.C, Beard, W.A, Wilson, S.H. | | Deposit date: | 2007-03-16 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into the DNA Polymerase beta deoxyribose phosphate lyase mechanism
DNA REPAIR, 4, 2005
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2WWB
 | | CRYO-EM STRUCTURE OF THE MAMMALIAN SEC61 COMPLEX BOUND TO THE ACTIVELY TRANSLATING WHEAT GERM 80S RIBOSOME | | Descriptor: | 25S RRNA, 5.8S RRNA, 60S RIBOSOMAL PROTEIN L17-A, ... | | Authors: | Becker, T, Mandon, E, Bhushan, S, Jarasch, A, Armache, J.P, Funes, S, Jossinet, F, Gumbart, J, Mielke, T, Berninghausen, O, Schulten, K, Westhof, E, Gilmore, R, Beckmann, R. | | Deposit date: | 2009-10-22 | | Release date: | 2009-12-08 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.48 Å) | | Cite: | Structure of Monomeric Yeast and Mammalian Sec61 Complexes Interacting with the Translating Ribosome.
Science, 326, 2009
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2YPL
 | | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | | Descriptor: | AGA T-CELL RECEPTOR ALPHA CHAIN, AGA T-CELL RECEPTOR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | | Authors: | Stewart-Jones, G.B, Simpson, P, van der Merwe, P.A, Easterbrook, P, McMichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | | Deposit date: | 2012-10-30 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8R1T
 | | Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide | | Descriptor: | 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ... | | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | | Deposit date: | 2023-11-02 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
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5FNT
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FZJ
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | Deposit date: | 2016-03-14 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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8GUB
 | | Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-09-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1KRE
 | | STRUCTURE OF P. CITRINUM ALPHA 1,2-MANNOSIDASE REVEALS THE BASIS FOR DIFFERENCES IN SPECIFICITY OF THE ER AND GOLGI CLASS I ENZYMES | | Descriptor: | 1-DEOXYMANNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lobsanov, Y.D, Vallee, F, Imberty, A, Yoshida, T, Yip, P, Herscovics, A, Howell, P.L. | | Deposit date: | 2002-01-09 | | Release date: | 2002-02-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Penicillium citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the endoplasmic reticulum and Golgi class I enzymes.
J.Biol.Chem., 277, 2002
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6J4E
 | | Crystal structure of the AtWRKY1 domain | | Descriptor: | DNA (5'-D(*AP*GP*CP*CP*TP*TP*TP*GP*AP*CP*CP*AP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*TP*GP*GP*TP*CP*AP*AP*AP*GP*GP*C)-3'), WRKY transcription factor 1, ... | | Authors: | Xu, Y.P, Xu, H, Wang, B, Su, X.D. | | Deposit date: | 2019-01-08 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.126 Å) | | Cite: | Crystal structure of the AtWRKY1 domain
To Be Published
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8GUD
 | | Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-09-11 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8JL1
 | | membrane proteins | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Yu, J, Ge, J.P, Xu, R.S. | | Deposit date: | 2023-06-02 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | membrane proteins
To Be Published
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4MUR
 | | Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | | Authors: | Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-23 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for the evolution of vancomycin resistance D,D-peptidases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8R7G
 | | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | | Deposit date: | 2023-11-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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8GRH
 | | Crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human IDH3 in complex with CIT | | Descriptor: | CITRIC ACID, Human IDH3 alpha subunit, Isocitrate dehydrogenase [NAD] subunit gamma, ... | | Authors: | Sun, P, Chen, X, Ding, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
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4N9D
 | | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | | Deposit date: | 2013-10-20 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
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7WQR
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
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8GUA
 | | Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-09-11 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6JBA
 | | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with palatinose | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | | Deposit date: | 2019-01-25 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
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5OEW
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538 | | Descriptor: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Larsen, A.P, Frydenvang, K.A, Kastrup, J.S. | | Deposit date: | 2017-07-10 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
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