5KH9
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![BU of 5kh9 by Molmil](/molmil-images/mine/5kh9) | Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ... | Authors: | Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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8B97
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![BU of 8b97 by Molmil](/molmil-images/mine/8b97) | N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine | Descriptor: | Beta-trefoil domain of the LBL lectin, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | Deposit date: | 2022-10-05 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor. Int.J.Biol.Macromol., 233, 2023
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6X4N
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![BU of 6x4n by Molmil](/molmil-images/mine/6x4n) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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7RLU
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![BU of 7rlu by Molmil](/molmil-images/mine/7rlu) | Structure of ALDH1L1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP | Descriptor: | 4'-PHOSPHOPANTETHEINE, Cytosolic 10-formyltetrahydrofolate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Tsybovsky, Y, Sereda, V, Golczak, M, Krupenko, N.I, Krupenko, S.A. | Deposit date: | 2021-07-26 | Release date: | 2022-01-12 | Last modified: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of putative tumor suppressor ALDH1L1. Commun Biol, 5, 2022
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7RLT
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![BU of 7rlt by Molmil](/molmil-images/mine/7rlt) | Structure of ligand-free ALDH1L1 (10-formyltetrahydrofolate dehydrogenase) | Descriptor: | 4'-PHOSPHOPANTETHEINE, Cytosolic 10-formyltetrahydrofolate dehydrogenase | Authors: | Tsybovsky, Y, Sereda, V, Golczak, M, Krupenko, N.I, Krupenko, S.A. | Deposit date: | 2021-07-26 | Release date: | 2022-01-12 | Last modified: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of putative tumor suppressor ALDH1L1. Commun Biol, 5, 2022
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5JLG
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![BU of 5jlg by Molmil](/molmil-images/mine/5jlg) | The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and compound I, a piano-stool organometallic Ru(II) arene compound containing an O,S-chelating ligand | Descriptor: | DIMETHYL SULFOXIDE, RUTHENIUM ION, Ribonuclease pancreatic, ... | Authors: | Ferraro, G, Merlino, A. | Deposit date: | 2016-04-27 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Unusual mode of protein binding by a cytotoxic pi-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand. Dalton Trans, 45, 2016
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8BQS
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![BU of 8bqs by Molmil](/molmil-images/mine/8bqs) | Cryo-EM structure of the I-II-III2-IV2 respiratory supercomplex from Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | Authors: | Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A. | Deposit date: | 2022-11-21 | Release date: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex To Be Published
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6X4P
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![BU of 6x4p by Molmil](/molmil-images/mine/6x4p) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6QL5
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![BU of 6ql5 by Molmil](/molmil-images/mine/6ql5) | Structure of fatty acid synthase complex with bound gamma subunit from Saccharomyces cerevisiae at 2.8 angstrom | Descriptor: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | Deposit date: | 2019-01-31 | Release date: | 2020-03-18 | Last modified: | 2020-04-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase. Cell, 180, 2020
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5J1R
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![BU of 5j1r by Molmil](/molmil-images/mine/5j1r) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one at 1.92A resolution | Descriptor: | 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one, EthR | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2016-03-29 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays. ACS Chem. Biol., 12, 2017
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5JMG
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![BU of 5jmg by Molmil](/molmil-images/mine/5jmg) | X-ray structure of the complex between bovine pancreatic ribonuclease and pentachlorocarbonyliridate(III) (4 days of soaking) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, IRIDIUM ION, ... | Authors: | Caterino, M, Petruk, A.A, Vergara, A, Ferraro, G, Merlino, A. | Deposit date: | 2016-04-29 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules. Dalton Trans, 45, 2016
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6WFI
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![BU of 6wfi by Molmil](/molmil-images/mine/6wfi) | Methylmalonyl-CoA epimerase in complex with 2-nitronate-propionyl-CoA | Descriptor: | CHLORIDE ION, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | Deposit date: | 2020-04-03 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase. Chembiochem, 23, 2022
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6FCV
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![BU of 6fcv by Molmil](/molmil-images/mine/6fcv) | Structure of the human DDB1-CSA complex | Descriptor: | DNA damage-binding protein 1, DNA excision repair protein ERCC-8 | Authors: | Meulenbroek, E.M, Pannu, N.S. | Deposit date: | 2017-12-21 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | TRiC controls transcription resumption after UV damage by regulating Cockayne syndrome protein A. Nat Commun, 9, 2018
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8BDG
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![BU of 8bdg by Molmil](/molmil-images/mine/8bdg) | Tubulin-taxane-2b complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | Deposit date: | 2022-10-19 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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8BDF
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![BU of 8bdf by Molmil](/molmil-images/mine/8bdf) | Tubulin-taxane-2a complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F. | Deposit date: | 2022-10-19 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insight into the stabilization of microtubules by taxanes. Elife, 12, 2023
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2KG8
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![BU of 2kg8 by Molmil](/molmil-images/mine/2kg8) | NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, Actinorhodin polyketide synthase acyl carrier protein | Authors: | Crump, M.P, Evans, S.E, Williams, C, Eliza, P. | Deposit date: | 2009-03-06 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2VSW
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![BU of 2vsw by Molmil](/molmil-images/mine/2vsw) | The structure of the rhodanese domain of the human dual specificity phosphatase 16 | Descriptor: | DUAL SPECIFICITY PROTEIN PHOSPHATASE 16 | Authors: | Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S. | Deposit date: | 2008-04-30 | Release date: | 2008-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16 To be Published
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4S0Q
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![BU of 4s0q by Molmil](/molmil-images/mine/4s0q) | |
7VJ0
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![BU of 7vj0 by Molmil](/molmil-images/mine/7vj0) | class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 us time-point) | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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7VJA
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![BU of 7vja by Molmil](/molmil-images/mine/7vja) | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 ns time-point) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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7VIX
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![BU of 7vix by Molmil](/molmil-images/mine/7vix) | class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 ns time-point) | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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7VJJ
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![BU of 7vjj by Molmil](/molmil-images/mine/7vjj) | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 us time-point) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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6YTZ
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![BU of 6ytz by Molmil](/molmil-images/mine/6ytz) | Crystal structure of Malus domestica Double Bond Reductase (MdDBR) in complex with NADPH | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Double Bond Reductase, ... | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | Deposit date: | 2020-04-25 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates. Int.J.Biol.Macromol., 171, 2021
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6Y79
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![BU of 6y79 by Molmil](/molmil-images/mine/6y79) | Cryo-EM structure of a respiratory complex I F89A mutant | Descriptor: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ... | Authors: | Parey, K. | Deposit date: | 2020-02-28 | Release date: | 2020-10-28 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Essential role of accessory subunit LYRM6 in the mechanism of mitochondrial complex I. Nat Commun, 11, 2020
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2H3T
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![BU of 2h3t by Molmil](/molmil-images/mine/2h3t) | trans-(4-aminomethyl)phenylazobenzoic acid-aPP bound to DPC micelles | Descriptor: | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID, Pancreatic hormone | Authors: | Jurt, S, Aemissegger, A, Guentert, P, Zerbe, O, Hilvert, D. | Deposit date: | 2006-05-23 | Release date: | 2006-09-12 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide Angew.Chem.Int.Ed.Engl., 45, 2006
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