PDB: 71589 resultsInfo pagesStatus searchChemie searchBIRD

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6XVR	Human myelin protein P2 mutant L35S Descriptor: Myelin P2 protein, PALMITIC ACID, SULFATE ION Authors: Ruskamo, S, Lehtimaki, M, Kursula, P. Deposit date: 2020-01-22 Release date: 2020-04-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice. J.Biol.Chem., 295, 2020
4WYO	Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1 Descriptor: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase Authors: Vajdos, F.F. Deposit date: 2014-11-17 Release date: 2015-01-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.89 Å) Cite: Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes. J.Med.Chem., 57, 2014
8A2B	EGFR kinase domain (L858R/V948R) in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide Descriptor: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor Authors: Kuglstatter, A, Ehler, A. Deposit date: 2022-06-03 Release date: 2022-10-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
8A2A	EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide (form 2) Descriptor: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor, SULFATE ION Authors: Kuglstatter, A, Ehler, A. Deposit date: 2022-06-03 Release date: 2022-10-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
8A27	EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide Descriptor: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ... Authors: Kuglstatter, A, Ehler, A. Deposit date: 2022-06-02 Release date: 2022-10-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
1WKO	Terminal flower 1 (tfl1) from arabidopsis thaliana Descriptor: TERMINAL FLOWER 1 protein Authors: Miller, D, Banfield, M.J, Winter, V.J, Brady, R.L. Deposit date: 2004-06-01 Release date: 2005-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A divergent external loop confers antagonistic activity on floral regulators FT and TFL1. Embo J., 25, 2006
4X5W	HLA-DR1 with CLIP102-120(M107W) Descriptor: HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ... Authors: Guenther, S, Freund, C. Deposit date: 2014-12-06 Release date: 2016-03-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.34 Å) Cite: MHC class II complexes sample intermediate states along the peptide exchange pathway. Nat Commun, 7, 2016
184L	SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ISOBUTYLBENZENE, ... Authors: Morton, A, Matthews, B.W. Deposit date: 1995-04-19 Release date: 1995-07-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity. Biochemistry, 34, 1995
4X62	Crystal Structure of 30S ribosomal subunit from Thermus thermophilus Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... Authors: Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. Deposit date: 2014-12-06 Release date: 2015-11-18 Last modified: 2019-12-25 Method: X-RAY DIFFRACTION (3.4492 Å) Cite: N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
4X65	Crystal Structure of 30S ribosomal subunit from Thermus thermophilus Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... Authors: Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. Deposit date: 2014-12-06 Release date: 2015-11-18 Last modified: 2019-12-25 Method: X-RAY DIFFRACTION (3.345 Å) Cite: N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
8A2D	EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide Descriptor: (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... Authors: Kuglstatter, A, Ehler, A. Deposit date: 2022-06-03 Release date: 2022-10-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.11 Å) Cite: Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
3IAW	Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.6 A resolution Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease Authors: Torbeev, V.Y, Kent, S.B.H. Deposit date: 2009-07-14 Release date: 2011-04-27 Last modified: 2012-12-12 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
8A59	C-type lectin-like domain (CTLD) and Sushi-like domain of human CD93 Descriptor: Complement component C1q receptor, GLYCEROL, SULFATE ION Authors: Tassone, G, Barbera, S, Raucci, L, Orlandini, M, Pozzi, C. Deposit date: 2022-06-14 Release date: 2022-11-02 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells. Int.J.Biol.Macromol., 224, 2023
1NJ4	Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 1.9 A resolution Descriptor: Penicillin-binding protein 5 Authors: Nicola, G, Nicholas, R.A, Davies, C. Deposit date: 2002-12-30 Release date: 2003-01-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of wild-type penicillin-binding protein 5 from Escherichia coli: implications for deacylation of the acyl-enzyme complex. J.Biol.Chem., 278, 2003
6XOG	Structure of SUMO1-ML786519 adduct bound to SAE Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... Authors: Sintchak, M, Lane, W, Bump, N. Deposit date: 2020-07-07 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
2RMB	Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE Authors: Ke, H, Mayrose, D. Deposit date: 1994-01-07 Release date: 1995-02-07 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A. Structure, 2, 1994
6XOH	Structure of SUMO1-ML00789344 adduct bound to SAE Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... Authors: Sintchak, M, Lane, W, Bump, N. Deposit date: 2020-07-07 Release date: 2021-03-24 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.226 Å) Cite: Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
8A02	Bacteriophage phiCjT23 major capsid protein trimer type 2 Descriptor: Major capsid protein P5 Authors: Rissanen, I, Kejzar, N, Huiskonen, J.T. Deposit date: 2022-05-26 Release date: 2022-12-14 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution. Nat Commun, 13, 2022
6XOI	Structure of SUMO1-ML00752641 adduct bound to SAE Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... Authors: Sintchak, M, Lane, W, Bump, N. Deposit date: 2020-07-07 Release date: 2021-03-24 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
3IIV	Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series Descriptor: KE7 KE7_R7_1/3H, MAGNESIUM ION Authors: Khersonsky, O, Dym, O, Tawfik, D.S. Deposit date: 2009-08-03 Release date: 2010-03-02 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series. J.Mol.Biol., 396, 2010
4XGT	Structure of RNA Helicase FRH a Critical Component of the Neurospora Crassa Circadian Clock Descriptor: FRQ-interacting RNA helicase Authors: Conrad, K.S, Crane, B.C. Deposit date: 2015-01-02 Release date: 2016-07-06 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.09 Å) Cite: Structure of the frequency-interacting RNA helicase: a protein interaction hub for the circadian clock. Embo J., 35, 2016
8A05	Bacteriophage phiCjT23 spike protein penton domain Descriptor: Spike protein P13 N-terminal, capsid internal domain, Unknown vertex protein Authors: Rissanen, I, Huiskonen, J.T. Deposit date: 2022-05-26 Release date: 2022-12-14 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution. Nat Commun, 13, 2022
7ZZZ	Bacteriophage phiCjT23 capsid Descriptor: Major capsid protein P5, Spike protein P13 N-terminal, capsid internal domain, ... Authors: Rissanen, I, Kejzar, N, Huiskonen, J.T. Deposit date: 2022-05-26 Release date: 2022-12-14 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution. Nat Commun, 13, 2022
6X6F	The structure of Pf6r from the filamentous phage Pf6 of Pseudomonas aeruginosa PA01 Descriptor: NITRATE ION, Pf6r Authors: Michie, K.A, Norrian, P, Duggin, I.G, McDougald, D, Rice, S.A. Deposit date: 2020-05-28 Release date: 2021-04-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.735 Å) Cite: The Repressor C Protein, Pf4r, Controls Superinfection of Pseudomonas aeruginosa PAO1 by the Pf4 Filamentous Phage and Regulates Host Gene Expression. Viruses, 13, 2021
7ZR5	CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(closed) complex Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... Authors: Oberoi, J, Pearl, L.H. Deposit date: 2022-05-03 Release date: 2022-12-14 Last modified: 2022-12-21 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation. Nat Commun, 13, 2022

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