6SAB
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![BU of 6sab by Molmil](/molmil-images/mine/6sab) | M-BUTX-Ptr1a (Parabuthus transvaalicus) | Descriptor: | M-BUTX-Ptr1a | Authors: | Meudal, H, Landon, C, Delmas, A.F. | Deposit date: | 2019-07-16 | Release date: | 2020-07-22 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists. J.Med.Chem., 63, 2020
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6SEH
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![BU of 6seh by Molmil](/molmil-images/mine/6seh) | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease | Descriptor: | Structure-specific endonuclease subunit SLX1, Structure-specific endonuclease subunit SLX4, ZINC ION | Authors: | Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M. | Deposit date: | 2019-07-30 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease. Nucleic Acids Res., 47, 2019
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7O0Q
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![BU of 7o0q by Molmil](/molmil-images/mine/7o0q) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066) | Descriptor: | 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one, ACETATE ION, MAGNESIUM ION, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066) To Be Published
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7L7F
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![BU of 7l7f by Molmil](/molmil-images/mine/7l7f) | |
6SEU
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![BU of 6seu by Molmil](/molmil-images/mine/6seu) | X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 2 | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | Deposit date: | 2019-07-30 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme. Dalton Trans, 48, 2019
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8BYT
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![BU of 8byt by Molmil](/molmil-images/mine/8byt) | |
6V8C
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![BU of 6v8c by Molmil](/molmil-images/mine/6v8c) | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | Descriptor: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | Authors: | Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B. | Deposit date: | 2019-12-10 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators To Be Published
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8BZ2
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![BU of 8bz2 by Molmil](/molmil-images/mine/8bz2) | |
7O0R
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![BU of 7o0r by Molmil](/molmil-images/mine/7o0r) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026) To Be Published
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7O27
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![BU of 7o27 by Molmil](/molmil-images/mine/7o27) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) To Be Published
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6EY6
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![BU of 6ey6 by Molmil](/molmil-images/mine/6ey6) | |
6SG8
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![BU of 6sg8 by Molmil](/molmil-images/mine/6sg8) | Structure of Sosuga virus receptor binding protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Bowden, T.A, Stelfox, A.J. | Deposit date: | 2019-08-02 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A structure-based rationale for sialic acid independent host-cell entry of Sosuga virus. Proc.Natl.Acad.Sci.USA, 116, 2019
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7L7K
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5MCI
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![BU of 5mci by Molmil](/molmil-images/mine/5mci) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 11.9 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-09 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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5KCW
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![BU of 5kcw by Molmil](/molmil-images/mine/5kcw) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-07 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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7O28
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![BU of 7o28 by Molmil](/molmil-images/mine/7o28) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009) | Descriptor: | 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009) To Be Published
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5MWG
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![BU of 5mwg by Molmil](/molmil-images/mine/5mwg) | Crystal structure of the human BRPF1 bromodomain in complex with BZ091 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-01-18 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
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7YML
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![BU of 7yml by Molmil](/molmil-images/mine/7yml) | Structure of photosynthetic LH1-RC super-complex of Rhodobacter capsulatus | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, BACTERIOCHLOROPHYLL A, ... | Authors: | Tani, K, Kanno, R, Ji, X.-C, Satoh, I, Kobayashi, Y, Nagashima, K.V.P, Hall, M, Yu, L.-J, Kimura, Y, Mizoguchi, A, Humbel, B.M, Madigan, M.T, Wang-Otomo, Z.-Y. | Deposit date: | 2022-07-28 | Release date: | 2023-02-22 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Rhodobacter capsulatus forms a compact crescent-shaped LH1-RC photocomplex. Nat Commun, 14, 2023
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6SAO
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![BU of 6sao by Molmil](/molmil-images/mine/6sao) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-07-17 | Release date: | 2019-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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7O0P
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![BU of 7o0p by Molmil](/molmil-images/mine/7o0p) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022) To Be Published
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6YNK
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![BU of 6ynk by Molmil](/molmil-images/mine/6ynk) | Crystal structure of YTHDC1 with compound DHU_DC1_068 | Descriptor: | 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-13 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | 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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5KF8
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![BU of 5kf8 by Molmil](/molmil-images/mine/5kf8) | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with glucosamine | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ... | Authors: | Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A. | Deposit date: | 2016-06-12 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase. Biochemistry, 55, 2016
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6FAW
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![BU of 6faw by Molmil](/molmil-images/mine/6faw) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2c-I with 14-3-3sigma | Descriptor: | (2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | Deposit date: | 2017-12-18 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
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8JX8
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![BU of 8jx8 by Molmil](/molmil-images/mine/8jx8) | rat megalin head | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | Deposit date: | 2023-06-30 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin. Proc.Natl.Acad.Sci.USA, 121, 2024
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7NR2
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![BU of 7nr2 by Molmil](/molmil-images/mine/7nr2) | The structure of the SBP TarP_Sse in complex with coumarate | Descriptor: | 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ... | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-02 | Release date: | 2021-10-06 | Last modified: | 2022-01-26 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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