8CF2
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![BU of 8cf2 by Molmil](/molmil-images/mine/8cf2) | Solution structure of the RNA helix formed by the 5'-end of U1 snRNA and an A-1 bulged 5'-splice site in complex with SMN-CY | Descriptor: | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide, RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Malard, F, Marquevielle, J, Campagne, S. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The diversity of splicing modifiers acting on A-1 bulged 5'-splice sites reveals rules for rational drug design. Nucleic Acids Res., 52, 2024
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6OM5
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![BU of 6om5 by Molmil](/molmil-images/mine/6om5) | Structure of a haemophore from Haemophilus haemolyticus | Descriptor: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Torrado, M, Walshe, J.L, Mackay, J.P, Guss, J.M, Gell, D.A. | Deposit date: | 2019-04-18 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A heme-binding protein produced by Haemophilus haemolyticus inhibits non-typeable Haemophilus influenzae. Mol.Microbiol., 113, 2020
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6O9V
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![BU of 6o9v by Molmil](/molmil-images/mine/6o9v) | KirBac3.1 mutant at a resolution of 3.1 Angstroms | Descriptor: | 1,1-Methanediyl Bismethanethiosulfonate, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Inward rectifier potassium channel Kirbac3.1, ... | Authors: | Gulbis, J.M, Black, K.A, Miller, D.M. | Deposit date: | 2019-03-15 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.094 Å) | Cite: | A constricted opening in Kir channels does not impede potassium conduction. Nat Commun, 11, 2020
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6QW1
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![BU of 6qw1 by Molmil](/molmil-images/mine/6qw1) | The Transcriptional Regulator PrfA-L140F mutant from Listeria Monocytogenes | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2019-03-05 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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8TSD
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![BU of 8tsd by Molmil](/molmil-images/mine/8tsd) | Human PI3K p85alpha/p110alpha bound to RLY-2608 | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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5LBO
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![BU of 5lbo by Molmil](/molmil-images/mine/5lbo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-06-16 | Release date: | 2018-03-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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8CKD
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![BU of 8ckd by Molmil](/molmil-images/mine/8ckd) | PBP AccA from A. fabrum C58 in complex with agrocinopine D-like | Descriptor: | 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-02-15 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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9RAT
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![BU of 9rat by Molmil](/molmil-images/mine/9rat) | |
8CDO
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![BU of 8cdo by Molmil](/molmil-images/mine/8cdo) | |
8CB9
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![BU of 8cb9 by Molmil](/molmil-images/mine/8cb9) | PBP AccA from A. tumefaciens Bo542 in complex with D-Glucose-2-phosphate | Descriptor: | 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-01-25 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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6VHG
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![BU of 6vhg by Molmil](/molmil-images/mine/6vhg) | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | Descriptor: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ... | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2020-01-09 | Release date: | 2020-02-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma. Acs Med.Chem.Lett., 11, 2020
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6UR5
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![BU of 6ur5 by Molmil](/molmil-images/mine/6ur5) | |
5LKS
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![BU of 5lks by Molmil](/molmil-images/mine/5lks) | Structure-function insights reveal the human ribosome as a cancer target for antibiotics | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Myasnikov, A.G, Natchiar, S.K, Nebout, M, Hazemann, I, Imbert, V, Khatter, H, Peyron, J.-F, Klaholz, B.P. | Deposit date: | 2016-07-23 | Release date: | 2017-04-26 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure-function insights reveal the human ribosome as a cancer target for antibiotics. Nat Commun, 7, 2016
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8RXX
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6EML
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![BU of 6eml by Molmil](/molmil-images/mine/6eml) | Cryo-EM structure of a late pre-40S ribosomal subunit from Saccharomyces cerevisiae | Descriptor: | 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ... | Authors: | Heuer, A, Thomson, E, Schmidt, C, Berninghausen, O, Becker, T, Hurt, E, Beckmann, R. | Deposit date: | 2017-10-02 | Release date: | 2017-11-29 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of a late pre-40S ribosomal subunit fromSaccharomyces cerevisiae. Elife, 6, 2017
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5I2V
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![BU of 5i2v by Molmil](/molmil-images/mine/5i2v) | |
5M0R
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![BU of 5m0r by Molmil](/molmil-images/mine/5m0r) | Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex | Descriptor: | integrase, tDNA, vDNA, ... | Authors: | Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P. | Deposit date: | 2016-10-05 | Release date: | 2017-01-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | A supramolecular assembly mediates lentiviral DNA integration. Science, 355, 2017
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6P5U
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![BU of 6p5u by Molmil](/molmil-images/mine/6p5u) | Structure of an enoyl-CoA hydratase/aldolase isolated from a lignin-degrading consortium | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COENZYME A, Enoyl-CoA hydratase | Authors: | Liberato, M.V, Squina, F.M. | Deposit date: | 2019-05-31 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of a prokaryotic feruloyl-CoA hydratase-lyase from a lignin-degrading consortium with high oligomerization stability under extreme pHs. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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6FAI
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![BU of 6fai by Molmil](/molmil-images/mine/6fai) | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit | Descriptor: | 20S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Scaiola, A, Pena, C, Weisser, M, Boehringer, D, Leibundgut, M, Klingauf-Nerurkar, P, Gerhardy, S, Panse, V.G, Ban, N. | Deposit date: | 2017-12-15 | Release date: | 2018-02-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of a eukaryotic cytoplasmic pre-40S ribosomal subunit. EMBO J., 37, 2018
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5IUX
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![BU of 5iux by Molmil](/molmil-images/mine/5iux) | GLIC-V135C bimane labelled X-ray structure | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, ACETATE ION, ... | Authors: | Fourati, Z, Menny, A, Delarue, M. | Deposit date: | 2016-03-18 | Release date: | 2017-03-29 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of a pre-active conformation of a pentameric channel receptor. Elife, 6, 2017
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5MHP
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![BU of 5mhp by Molmil](/molmil-images/mine/5mhp) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | Descriptor: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | Deposit date: | 2016-11-25 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem., 60, 2017
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7PLL
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![BU of 7pll by Molmil](/molmil-images/mine/7pll) | Structure of the murine cortactin C-SH3 domain in complex with a Pyk2 proline-rich ligand | Descriptor: | Pyk2-PRR2 peptide, Src substrate cortactin | Authors: | Sokolik, C.G, Samson, A.O, Gil-Henn, H, Chill, J.H. | Deposit date: | 2021-08-31 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A novel Pyk2-derived peptide inhibits invadopodia-mediated breast cancer metastasis. Oncogene, 42, 2023
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6UZV
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![BU of 6uzv by Molmil](/molmil-images/mine/6uzv) | The structure of a red shifted photosystem I complex | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Toporik, H, Williams, D, Chiu, P.L, Mazor, Y. | Deposit date: | 2019-11-15 | Release date: | 2020-09-16 | Last modified: | 2020-11-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The structure of a red-shifted photosystem I reveals a red site in the core antenna. Nat Commun, 11, 2020
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6PCX
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![BU of 6pcx by Molmil](/molmil-images/mine/6pcx) | Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 6.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | Deposit date: | 2019-06-18 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography. J.Struct.Biol., 209, 2020
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5MPQ
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![BU of 5mpq by Molmil](/molmil-images/mine/5mpq) | |