8QQZ
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![BU of 8qqz by Molmil](/molmil-images/mine/8qqz) | Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 8.0 | Descriptor: | Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A. | Deposit date: | 2023-10-06 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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8QR0
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![BU of 8qr0 by Molmil](/molmil-images/mine/8qr0) | Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 4.3 | Descriptor: | Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A. | Deposit date: | 2023-10-06 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion. Nat Commun, 15, 2024
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7A06
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![BU of 7a06 by Molmil](/molmil-images/mine/7a06) | Structure of human CKa1 in complex with compound o | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | Deposit date: | 2020-08-06 | Release date: | 2020-09-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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7A04
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![BU of 7a04 by Molmil](/molmil-images/mine/7a04) | Structure of human CKa1 in complex with compound b | Descriptor: | 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | Deposit date: | 2020-08-06 | Release date: | 2020-09-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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6T0H
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![BU of 6t0h by Molmil](/molmil-images/mine/6t0h) | Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | Descriptor: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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6T0G
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![BU of 6t0g by Molmil](/molmil-images/mine/6t0g) | Crystal structure of CYP124 in complex with vitamin D3 | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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6T0K
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![BU of 6t0k by Molmil](/molmil-images/mine/6t0k) | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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5FTG
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![BU of 5ftg by Molmil](/molmil-images/mine/5ftg) | Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a) | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA | Authors: | Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C. | Deposit date: | 2016-01-13 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1) Sci.Rep., 6, 2016
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6T0F
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![BU of 6t0f by Molmil](/molmil-images/mine/6t0f) | Crystal structure of CYP124 in complex with cholest-4-en-3-one | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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6T0L
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![BU of 6t0l by Molmil](/molmil-images/mine/6t0l) | Crystal structure of CYP124 in complex with inhibitor compound 5' | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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8BL3
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![BU of 8bl3 by Molmil](/molmil-images/mine/8bl3) | |
8BL6
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![BU of 8bl6 by Molmil](/molmil-images/mine/8bl6) | |
7A9A
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![BU of 7a9a by Molmil](/molmil-images/mine/7a9a) | Crystal structure of rubredoxin B (Rv3250c) from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vakhrameev, D, Kavaleuski, A, Bukhdruker, S, Marin, E, Sushko, T, Grabovec, I.P, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2020-09-01 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | A new twist of rubredoxin function in M. tuberculosis. Bioorg.Chem., 109, 2021
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7ADM
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![BU of 7adm by Molmil](/molmil-images/mine/7adm) | Structure of the mycoplasma MIB protein | Descriptor: | Putative immunoglobulin-blocking virulence protein | Authors: | Nottelet, P, Bataille, L, Gourgues, G, Anger, R, Lartigue, C, Sirand-Pugnet, P, Marza, E, Fronzes, R, Arfi, Y. | Deposit date: | 2020-09-15 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The mycoplasma surface proteins MIB and MIP promote the dissociation of the antibody-antigen interaction. Sci Adv, 7, 2021
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7ADJ
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![BU of 7adj by Molmil](/molmil-images/mine/7adj) | Structure of the mycoplasma MIB protein | Descriptor: | Putative immunoglobulin-blocking virulence protein | Authors: | Nottelet, P, Bataille, L, Gourgues, G, Anger, R, Lartigue, C, Sirand-Pugnet, P, Marza, E, Fronzes, R, Arfi, Y. | Deposit date: | 2020-09-15 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The mycoplasma surface proteins MIB and MIP promote the dissociation of the antibody-antigen interaction. Sci Adv, 7, 2021
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7ADK
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![BU of 7adk by Molmil](/molmil-images/mine/7adk) | Structure of the mycoplasma MIB and MIP proteins | Descriptor: | Lipoprotein, Putative immunoglobulin-blocking virulence protein | Authors: | Nottelet, P, Bataille, L, Gourgues, G, Anger, R, Lartigue, C, Sirand-Pugnet, P, Marza, E, Fronzes, R, Arfi, Y. | Deposit date: | 2020-09-15 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The mycoplasma surface proteins MIB and MIP promote the dissociation of the antibody-antigen interaction. Sci Adv, 7, 2021
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1XJ7
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![BU of 1xj7 by Molmil](/molmil-images/mine/1xj7) | Complex Androgen Receptor LBD and RAC3 peptide | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, RAC3 derived peptide | Authors: | Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Buehrer, B.M, Webb, P, Fletterick, R.J, Guy, R.K. | Deposit date: | 2004-09-22 | Release date: | 2005-01-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor J.Biol.Chem., 280, 2005
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7SKN
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![BU of 7skn by Molmil](/molmil-images/mine/7skn) | |
7SKP
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![BU of 7skp by Molmil](/molmil-images/mine/7skp) | |
7SKO
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![BU of 7sko by Molmil](/molmil-images/mine/7sko) | De novo synthetic protein DIG8-CC (orthogonal space group) | Descriptor: | De novo synthetic protein DIG8-CC, MAGNESIUM ION | Authors: | Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X. | Deposit date: | 2021-10-21 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | De novo design of immunoglobulin-like domains Nat Commun, 13, 2022
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6T0J
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![BU of 6t0j by Molmil](/molmil-images/mine/6t0j) | Crystal structure of CYP124 in complex with SQ109 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450. Int J Mol Sci, 21, 2020
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8QZK
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![BU of 8qzk by Molmil](/molmil-images/mine/8qzk) | Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4 Hexagonal form | Descriptor: | ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE | Authors: | Aghajari, N, Hansen, A.L, Thiesen, F.F, Crehuet, R, Marcos, E, Willemoes, M. | Deposit date: | 2023-10-27 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination. Acs Synth Biol, 13, 2024
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7DUF
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![BU of 7duf by Molmil](/molmil-images/mine/7duf) | Crystal structure of VIM1 PHD finger. | Descriptor: | E3 ubiquitin-protein ligase ORTHRUS 2, ZINC ION | Authors: | Abhishek, S, Deeksha, W, Patel, D.J, Rajakumara, E. | Deposit date: | 2021-01-08 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Helical and beta-Turn Conformations in the Peptide Recognition Regions of the VIM1 PHD Finger Abrogate H3K4 Peptide Recognition. Biochemistry, 60, 2021
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5K1H
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![BU of 5k1h by Molmil](/molmil-images/mine/5k1h) | eIF3b relocated to the intersubunit face to interact with eIF1 and below the eIF2 ternary-complex. from the structure of a partial yeast 48S preinitiation complex in closed conformation. | Descriptor: | Eukaryotic translation initiation factor 3 subunit B, eIF3a C-terminal tail | Authors: | Simonetti, A, Brito Querido, J, Myasnikov, A.G, Mancera-Martinez, E, Renaud, A, Kuhn, L, Hashem, Y. | Deposit date: | 2016-05-18 | Release date: | 2016-07-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | eIF3 Peripheral Subunits Rearrangement after mRNA Binding and Start-Codon Recognition. Mol.Cell, 63, 2016
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5K0Y
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![BU of 5k0y by Molmil](/molmil-images/mine/5k0y) | m48S late-stage initiation complex, purified from rabbit reticulocytes lysates, displaying eIF2 ternary complex and eIF3 i and g subunits relocated to the intersubunit face | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S12, 40S ribosomal protein S21, ... | Authors: | Simonetti, A, Brito Querido, J, Myasnikov, A.G, Mancera-Martinez, E, Renaud, A, Kuhn, L, Hashem, Y. | Deposit date: | 2016-05-17 | Release date: | 2016-07-13 | Last modified: | 2018-04-18 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | eIF3 Peripheral Subunits Rearrangement after mRNA Binding and Start-Codon Recognition. Mol.Cell, 63, 2016
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