8QBD
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![BU of 8qbd by Molmil](/molmil-images/mine/8qbd) | Helical reconstruction of yeast eisosome protein Pil1 bound to membrane composed of lipid mixture +PIP2/+sterol (DOPC, DOPE, DOPS, cholesterol, PI(4,5)P2 35:20:20:15:10) | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, Sphingolipid long chain base-responsive protein PIL1 | Authors: | Kefauver, J.M, Zou, L, Desfosses, A, Loewith, R.J. | Deposit date: | 2023-08-24 | Release date: | 2024-07-24 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain. Nature, 632, 2024
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6N65
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![BU of 6n65 by Molmil](/molmil-images/mine/6n65) | KRAS G-quadruplex G16T mutant. | Descriptor: | KRAS G-quadruplex G16T mutant, POTASSIUM ION | Authors: | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | Deposit date: | 2018-11-25 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition. Nucleic Acids Res., 48, 2020
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8QIX
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6QWF
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![BU of 6qwf by Molmil](/molmil-images/mine/6qwf) | The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | Descriptor: | DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A | 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 (2.7 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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6GQ1
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![BU of 6gq1 by Molmil](/molmil-images/mine/6gq1) | Cryo-EM reconstruction of yeast 80S ribosome in complex with mRNA, tRNA and eEF2 (GMPPCP/sordarin) | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Pellegrino, S, Demeshkina, N, Mancera-Martinez, E, Melnikov, S, Simonetti, A, Myasnikov, A, Yusupov, M, Yusupova, G, Hashem, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-07-11 | Last modified: | 2018-08-08 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Insights into the Role of Diphthamide on Elongation Factor 2 in mRNA Reading-Frame Maintenance. J. Mol. Biol., 430, 2018
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7UDS
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![BU of 7uds by Molmil](/molmil-images/mine/7uds) | Structure of lineage I (Pinneo) Lassa virus glycoprotein bound to Fab 25.10C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 25.10C Fab Heavy Chain, ... | Authors: | Buck, T.K, Enriquez, A.E, Hastie, K.M. | Deposit date: | 2022-03-20 | Release date: | 2022-06-15 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Neutralizing Antibodies against Lassa Virus Lineage I. Mbio, 13, 2022
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5NJ7
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5NJL
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![BU of 5njl by Molmil](/molmil-images/mine/5njl) | Cwp2 from Clostridium difficile | Descriptor: | Cell surface protein (Putative S-layer protein), SULFATE ION | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | Deposit date: | 2017-03-29 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cwp2 from Clostridium difficile exhibits an extended three domain fold and cell adhesion in vitro. FEBS J., 284, 2017
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5NJQ
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![BU of 5njq by Molmil](/molmil-images/mine/5njq) | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 4ET8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | Deposit date: | 2017-03-29 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mix-and-diffuse serial synchrotron crystallography. IUCrJ, 4, 2017
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6QSW
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![BU of 6qsw by Molmil](/molmil-images/mine/6qsw) | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-02-22 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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5NJP
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![BU of 5njp by Molmil](/molmil-images/mine/5njp) | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 1HEW | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | Deposit date: | 2017-03-29 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mix-and-diffuse serial synchrotron crystallography. IUCrJ, 4, 2017
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6QU9
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![BU of 6qu9 by Molmil](/molmil-images/mine/6qu9) | Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin | Descriptor: | FAB 4B12 heavy chain, FAB 4B12 light chain, GLYCEROL, ... | Authors: | Jagger, A.M, Heyer-Chauhan, N, Lomas, D.A, Irving, J.A. | Deposit date: | 2019-02-26 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis for Z alpha 1 -antitrypsin polymerization in the liver. Sci Adv, 6, 2020
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8QIY
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5NKL
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![BU of 5nkl by Molmil](/molmil-images/mine/5nkl) | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dDs-dPxTP | Descriptor: | ACETATE ION, DNA (5'-D(*AP*AP*AP*(DNU)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Betz, K, Marx, A, Diederichs, K, Hirao, I, Kimoto, M. | Deposit date: | 2017-03-31 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Expansion of the Genetic Alphabet with an Artificial Nucleobase Pair. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NKY
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![BU of 5nky by Molmil](/molmil-images/mine/5nky) | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-04-03 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
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6QVY
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![BU of 6qvy by Molmil](/molmil-images/mine/6qvy) | The Transcriptional Regulator PrfA-A94V mutant from Listeria Monocytogenes | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, 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 (1.686 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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6OCQ
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![BU of 6ocq by Molmil](/molmil-images/mine/6ocq) | Crystal structure of RIP1 kinase in complex with a pyrrolidine | Descriptor: | 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION | Authors: | Thorpe, J.H, Harris, P.A. | Deposit date: | 2019-03-25 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem., 62, 2019
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6QZL
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![BU of 6qzl by Molmil](/molmil-images/mine/6qzl) | Structure of the H1 domain of human KCTD12 | Descriptor: | BTB/POZ domain-containing protein KCTD12 | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-11 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the H1 domain of human KCTD12 To be published
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5NP8
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![BU of 5np8 by Molmil](/molmil-images/mine/5np8) | PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid) | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ... | Authors: | Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N. | Deposit date: | 2017-04-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation. Neoplasia, 21, 2019
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5NPF
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![BU of 5npf by Molmil](/molmil-images/mine/5npf) | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ... | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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7USA
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![BU of 7usa by Molmil](/molmil-images/mine/7usa) | Structure of the human coronavirus CCoV-HuPn-2018 spike glycoprotein with domain 0 in the swung out conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-04-23 | Release date: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein. Cell, 185, 2022
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8E5T
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![BU of 8e5t by Molmil](/molmil-images/mine/8e5t) | Yeast co-transcriptional Noc1-Noc2 RNP assembly checkpoint intermediate | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 60S ribosomal protein L13-A, ... | Authors: | Sanghai, Z.A, Piwowarczyk, R, Vanden Broeck, A, Klinge, S. | Deposit date: | 2022-08-22 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | A co-transcriptional ribosome assembly checkpoint controls nascent large ribosomal subunit maturation. Nat.Struct.Mol.Biol., 30, 2023
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6QRA
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![BU of 6qra by Molmil](/molmil-images/mine/6qra) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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7UOQ
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![BU of 7uoq by Molmil](/molmil-images/mine/7uoq) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | Descriptor: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | Authors: | Lewis, H.A, Muckelbauer, J.K. | Deposit date: | 2022-04-13 | Release date: | 2022-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8867 Å) | Cite: | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7URG
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![BU of 7urg by Molmil](/molmil-images/mine/7urg) | |