6YO5
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![BU of 6yo5 by Molmil](/molmil-images/mine/6yo5) | Crystal structure of the M295F variant of Ssl1 | Descriptor: | ALA-HIS-ALA, COPPER (II) ION, Copper oxidase, ... | Authors: | Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I. | Deposit date: | 2020-04-14 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase To Be Published
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6Y4A
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7ZJ5
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![BU of 7zj5 by Molmil](/molmil-images/mine/7zj5) | Unbound state of a brocolli-pepper aptamer FRET tile. | Descriptor: | POTASSIUM ION, brocolli-pepper aptamer | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | Deposit date: | 2022-04-08 | Release date: | 2023-04-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.55 Å) | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding To Be Published
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6Y45
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![BU of 6y45 by Molmil](/molmil-images/mine/6y45) | Crystal Structure of the H33A variant of RsrR | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rohac, R, Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2020-02-19 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR. J.Am.Chem.Soc., 142, 2020
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5T1Z
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![BU of 5t1z by Molmil](/molmil-images/mine/5t1z) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide | Descriptor: | 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Fanning, S.W, Rajan, S.S, Maximov, P.Y, Abderrahman, B.H, Surojeet, S, Fernandes, D.J, Fan, P, Curpan, R.F, Greene, G.L, Jordan, V.C. | Deposit date: | 2016-08-22 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer. Mol. Pharmacol., 94, 2018
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6XFO
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6SKX
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![BU of 6skx by Molmil](/molmil-images/mine/6skx) | Structure of Reductive Aminase from Neosartorya fumigata | Descriptor: | Oxidoreductase, putative | Authors: | Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G. | Deposit date: | 2019-08-16 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases. Chem Sci, 11, 2020
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7P31
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![BU of 7p31 by Molmil](/molmil-images/mine/7p31) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-07-06 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with small molecule ligands To Be Published
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7SCL
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![BU of 7scl by Molmil](/molmil-images/mine/7scl) | The X-ray crystal structure of Staphylococcus aureus Fatty Acid Kinase B1 (FakB1) mutant R173A in complex with Palmitate to 1.60 Angstrom resolution | Descriptor: | Fatty Acid Kinase B1, GLYCEROL, PALMITIC ACID | Authors: | Cuypers, M.G, Gullett, J.M, Subramanian, C, Rock, C.O, White, S.W. | Deposit date: | 2021-09-28 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes. J.Biol.Chem., 298, 2022
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7P88
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![BU of 7p88 by Molmil](/molmil-images/mine/7p88) | Crystal structure of YTHDC1 with compound YLI_DC1_002 | Descriptor: | 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7P8B
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![BU of 7p8b by Molmil](/molmil-images/mine/7p8b) | Crystal structure of YTHDC1 with compound YLI_DC1_006 | Descriptor: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7P8A
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![BU of 7p8a by Molmil](/molmil-images/mine/7p8a) | Crystal structure of YTHDC1 with compound YLI_DC1_003 | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},9-dimethylpurin-6-amine | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7P87
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![BU of 7p87 by Molmil](/molmil-images/mine/7p87) | Crystal structure of YTHDC1 with compound YLI_DC1_001 | Descriptor: | N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7P8F
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![BU of 7p8f by Molmil](/molmil-images/mine/7p8f) | Crystal structure of YTHDC1 with compound YLI_DC1_008 | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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5XIU
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![BU of 5xiu by Molmil](/molmil-images/mine/5xiu) | Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a | Authors: | Takahashi, T.S, Sato, Y, Fukai, S. | Deposit date: | 2017-04-27 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168. Nat Commun, 9, 2018
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1BKM
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![BU of 1bkm by Molmil](/molmil-images/mine/1bkm) | COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX | Descriptor: | PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE | Authors: | Holland, D.R, Rubin, J.R. | Deposit date: | 1997-05-02 | Release date: | 1997-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain J.Am.Chem.Soc., 119, 1997
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3A8C
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3A86
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1DGF
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![BU of 1dgf by Molmil](/molmil-images/mine/1dgf) | HUMAN ERYTHROCYTE CATALASE | Descriptor: | ACETATE ION, CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | Deposit date: | 1999-11-24 | Release date: | 2000-02-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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1DGH
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![BU of 1dgh by Molmil](/molmil-images/mine/1dgh) | HUMAN ERYTHROCYTE CATALASE 3-AMINO-1,2,4-TRIAZOLE COMPLEX | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (CATALASE), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | Deposit date: | 1999-11-24 | Release date: | 2000-02-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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4KG0
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![BU of 4kg0 by Molmil](/molmil-images/mine/4kg0) | Crystal structure of the drosophila melanogaster neuralized-nhr1 domain | Descriptor: | MAGNESIUM ION, Protein neuralized | Authors: | Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Bolanos-Garcia, V.M, Blundell, T.L. | Deposit date: | 2013-04-28 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure, biochemical and biophysical characterisation of NHR1 domain of E3 Ubiquitin ligase neutralized Advances in Enzyme Research, 1, 2013
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6KXE
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![BU of 6kxe by Molmil](/molmil-images/mine/6kxe) | The ishigamide ketosynthase/chain length factor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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6KXF
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![BU of 6kxf by Molmil](/molmil-images/mine/6kxf) | The ishigamide ketosynthase/chain length factor | Descriptor: | ACP, Ketosynthase, [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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6KXD
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![BU of 6kxd by Molmil](/molmil-images/mine/6kxd) | The ishigamide ketosynthase/chain length factor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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1BTC
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![BU of 1btc by Molmil](/molmil-images/mine/1btc) | THREE-DIMENSIONAL STRUCTURE OF SOYBEAN BETA-AMYLASE DETERMINED AT 3.0 ANGSTROMS RESOLUTION: PRELIMINARY CHAIN TRACING OF THE COMPLEX WITH ALPHA-CYCLODEXTRIN | Descriptor: | BETA-AMYLASE, BETA-MERCAPTOETHANOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ... | Authors: | Mikami, B, Hehre, E.J, Sato, M, Katsube, Y, Hirose, M, Morita, Y, Sacchettini, J.C. | Deposit date: | 1993-02-18 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0-A resolution structure of soybean beta-amylase complexed with alpha-cyclodextrin. Biochemistry, 32, 1993
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