6LA2
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![BU of 6la2 by Molmil](/molmil-images/mine/6la2) | 343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0 | Descriptor: | DNA (343-MER), Histone H1.0, Histone H2A type 1-B/E, ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-11 | Release date: | 2021-02-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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7A1D
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![BU of 7a1d by Molmil](/molmil-images/mine/7a1d) | Cryo-EM map of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis (open conformation) | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N. | Deposit date: | 2020-08-12 | Release date: | 2021-06-09 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | 3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme. Commun Biol, 4, 2021
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7OTB
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![BU of 7otb by Molmil](/molmil-images/mine/7otb) | Ruthenium polypridyl complex bound to a unimolecular chair-form G-quadruplex | Descriptor: | BARIUM ION, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), POTASSIUM ION, ... | Authors: | McQuaid, K.T, Cardin, C.J, Hall, J.P, Paterson, N.G, Baumgaertner, L. | Deposit date: | 2021-06-09 | Release date: | 2022-04-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ruthenium Polypyridyl Complex Bound to a Unimolecular Chair-Form G-Quadruplex. J.Am.Chem.Soc., 144, 2022
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7M5X
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![BU of 7m5x by Molmil](/molmil-images/mine/7m5x) | Human ATP13A2 in the outward-facing E2 state bound to spermine and beryllium fluoride | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Lee, K.P.K. | Deposit date: | 2021-03-25 | Release date: | 2022-03-30 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanisms for gating and ion selectivity of the human polyamine transporter ATP13A2. Mol.Cell, 81, 2021
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7M5V
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![BU of 7m5v by Molmil](/molmil-images/mine/7m5v) | human ATP13A2 in the AMPPNP-bound occluded state | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 1-DODECANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lee, K.P.K. | Deposit date: | 2021-03-24 | Release date: | 2022-03-30 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mechanisms for gating and ion selectivity of the human polyamine transporter ATP13A2. Mol.Cell, 81, 2021
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7P8S
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![BU of 7p8s by Molmil](/molmil-images/mine/7p8s) | Crystal Structure of leukotoxin LukE from Staphylococcus aureus at 1.9 Angstrom resolution | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, HEXAETHYLENE GLYCOL, Leucotoxin LukEv, ... | Authors: | Lambey, P, Hoh, F, Granier, S, Leyrat, C. | Deposit date: | 2021-07-23 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins. Elife, 11, 2022
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6LER
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![BU of 6ler by Molmil](/molmil-images/mine/6ler) | 169 bp nucleosome harboring non-identical cohesive DNA termini. | Descriptor: | CALCIUM ION, DNA (169-MER), Histone H2A type 1-B/E, ... | Authors: | Sharma, D, Adhireksan, Z, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-26 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies. Nucleic Acids Res., 49, 2021
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7S13
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![BU of 7s13 by Molmil](/molmil-images/mine/7s13) | Crystal structure of Fab in complex with mouse CD96 dimer | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... | Authors: | Lee, P.S, Barman, I, Strop, P. | Deposit date: | 2021-08-31 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Antibody blockade of CD96 by distinct molecular mechanisms. Mabs, 13, 2021
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6RWO
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![BU of 6rwo by Molmil](/molmil-images/mine/6rwo) | SIVrcm intasome (Q148H/G140S) in complex with bictegravir | Descriptor: | Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | Authors: | Cherepanov, P, Nans, A, Cook, N. | Deposit date: | 2019-06-05 | Release date: | 2020-02-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance. Science, 367, 2020
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6O5Z
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![BU of 6o5z by Molmil](/molmil-images/mine/6o5z) | Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | Descriptor: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | Authors: | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | Deposit date: | 2019-03-04 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway. Acs Chem.Biol., 15, 2020
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6OJB
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![BU of 6ojb by Molmil](/molmil-images/mine/6ojb) | Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-alpha-D-galactopyranose, ... | Authors: | Bamford, N.C, Howell, P.L. | Deposit date: | 2019-04-11 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms. J.Biol.Chem., 294, 2019
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6OKD
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![BU of 6okd by Molmil](/molmil-images/mine/6okd) | Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Finton, K.A.K, Rupert, P.B, Strong, R.K. | Deposit date: | 2019-04-12 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules. J.Mol.Biol., 432, 2020
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7YXA
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![BU of 7yxa by Molmil](/molmil-images/mine/7yxa) | XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ... | Authors: | Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2022-02-15 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors. Nat Commun, 13, 2022
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1B94
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![BU of 1b94 by Molmil](/molmil-images/mine/1b94) | RESTRICTION ENDONUCLEASE ECORV WITH CALCIUM | Descriptor: | CALCIUM ION, DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3'), RESTRICTION ENDONUCLEASE ECORV | Authors: | Thomas, M.P, Halford, S.E, Brady, R.L. | Deposit date: | 1999-02-19 | Release date: | 1999-02-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of a mutational hot-spot in the EcoRV restriction endonuclease: a catalytic role for a main chain carbonyl group. Nucleic Acids Res., 27, 1999
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6OFD
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![BU of 6ofd by Molmil](/molmil-images/mine/6ofd) | The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W. | Deposit date: | 2019-03-29 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis. Eur.J.Med.Chem., 182, 2019
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6ZMV
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![BU of 6zmv by Molmil](/molmil-images/mine/6zmv) | Structure of muramidase from Trichobolus zukalii | Descriptor: | GLYCEROL, SULFATE ION, muramidase | Authors: | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | Deposit date: | 2020-07-04 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution. Plos One, 16, 2021
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6ZM8
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![BU of 6zm8 by Molmil](/molmil-images/mine/6zm8) | Structure of muramidase from Acremonium alcalophilum | Descriptor: | muramidase | Authors: | Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S. | Deposit date: | 2020-07-01 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution. Plos One, 16, 2021
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3HOU
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![BU of 3hou by Molmil](/molmil-images/mine/3hou) | Complete RNA polymerase II elongation complex I with a T-U mismatch | Descriptor: | 5'-D(*A*AP*CP*TP*AP*CP*TP*TP*GP*AP*GP*CP*T)-3', 5'-D(*AP*GP*CP*TP*CP*A*AP*GP*TP*AP*GP*TP*TP*AP*TP*GP*CP*CP*(BRU)P*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*UP*GP*CP*AP*UP*U*UP*CP*GP*AP*CP*CP*AP*GP*GP*CP*U)-3', ... | Authors: | Sydow, J.F, Brueckner, F, Cheung, A.C.M, Damsma, G.E, Dengl, S, Lehmann, E, Vassylyev, D, Cramer, P. | Deposit date: | 2009-06-03 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of transcription: mismatch-specific fidelity mechanisms and paused RNA polymerase II with frayed RNA. Mol.Cell, 34, 2009
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6UBC
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![BU of 6ubc by Molmil](/molmil-images/mine/6ubc) | Crystal structure of a GH128 (subgroup VII) oligosaccharide-binding protein from Cryptococcus neoformans (CnGH128_VII) | Descriptor: | Glyco_hydro_cc domain-containing protein | Authors: | Santos, C.R, Costa, P.A.C.R, Souza, B.P, Vieira, P.S, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6RWN
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![BU of 6rwn by Molmil](/molmil-images/mine/6rwn) | SIVrcm intasome in complex with dolutegravir | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ... | Authors: | Cherepanov, P, Nans, A, Cook, N. | Deposit date: | 2019-06-05 | Release date: | 2020-02-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance. Science, 367, 2020
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8C6P
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![BU of 8c6p by Molmil](/molmil-images/mine/8c6p) | Fragment screening hit I bound to endothiapepsin | Descriptor: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C6Q
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![BU of 8c6q by Molmil](/molmil-images/mine/8c6q) | Fragment screening hit II bound to endothiapepsin | Descriptor: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C71
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![BU of 8c71 by Molmil](/molmil-images/mine/8c71) | Pyrrolidine fragment 5b bound to endothiapepsin | Descriptor: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C72
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![BU of 8c72 by Molmil](/molmil-images/mine/8c72) | Pyrrolidine fragment 10b bound to endothiapepsin | Descriptor: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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8C70
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![BU of 8c70 by Molmil](/molmil-images/mine/8c70) | Pyrrolidine fragment 1 bound to endothiapepsin | Descriptor: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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