7DF1
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![BU of 7df1 by Molmil](/molmil-images/mine/7df1) | Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | Descriptor: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | Authors: | Liu, X, Ding, J, Sui, J, Tian, X. | Deposit date: | 2020-11-06 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice. Nat Biomed Eng, 2022
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5LOL
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![BU of 5lol by Molmil](/molmil-images/mine/5lol) | Glutathione-bound Dehydroascorbate Reductase 2 of Arabidopsis thaliana | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase DHAR2, ... | Authors: | Young, D.R, Pallo, A, Bodra, N, Messens, J. | Deposit date: | 2016-08-09 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Arabidopsis thaliana dehydroascorbate reductase 2: Conformational flexibility during catalysis. Sci Rep, 7, 2017
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4L91
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![BU of 4l91 by Molmil](/molmil-images/mine/4l91) | Crystal structure of Human Hsp90 with X29 | Descriptor: | 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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5M2A
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![BU of 5m2a by Molmil](/molmil-images/mine/5m2a) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-10-12 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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1UOM
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![BU of 1uom by Molmil](/molmil-images/mine/1uom) | The Structure of Estrogen Receptor in Complex with a Selective and Potent Tetrahydroisochiolin Ligand. | Descriptor: | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL, ESTROGEN RECEPTOR | Authors: | Stark, W, Bischoff, S.F, Buhl, T, Fournier, B, Halleux, C, Kallen, J, Keller, H, Renaud, J. | Deposit date: | 2003-04-11 | Release date: | 2003-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Estrogen Receptor Modulators: Identification and Structure-Activity Relationships of Potent Eralpha-Selective Tetrahydroisoquinoline Ligands J.Med.Chem., 46, 2003
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5M27
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![BU of 5m27 by Molmil](/molmil-images/mine/5m27) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-10-12 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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7DFV
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![BU of 7dfv by Molmil](/molmil-images/mine/7dfv) | Cryo-EM structure of plant NLR RPP1 tetramer core part | Descriptor: | NAD+ hydrolase (NADase) | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | Deposit date: | 2020-11-10 | Release date: | 2020-12-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme. Science, 370, 2020
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3N3K
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![BU of 3n3k by Molmil](/molmil-images/mine/3n3k) | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-20 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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4LKG
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![BU of 4lkg by Molmil](/molmil-images/mine/4lkg) | The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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5J07
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![BU of 5j07 by Molmil](/molmil-images/mine/5j07) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P1/2 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-27 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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5J0C
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![BU of 5j0c by Molmil](/molmil-images/mine/5j0c) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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1UMY
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![BU of 1umy by Molmil](/molmil-images/mine/1umy) | BHMT from rat liver | Descriptor: | BETA-MERCAPTOETHANOL, Betaine--homocysteine S-methyltransferase 1, ZINC ION | Authors: | Gonzalez, B, Pajares, M.A, Sanz-Aparicio, J. | Deposit date: | 2003-09-02 | Release date: | 2004-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of rat liver betaine homocysteine s-methyltransferase reveals new oligomerization features and conformational changes upon substrate binding. J. Mol. Biol., 338, 2004
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3AEF
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![BU of 3aef by Molmil](/molmil-images/mine/3aef) | Crystal structure of porcine heart mitochondrial complex II with an empty quinone-binding pocket | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | Deposit date: | 2010-02-04 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of porcine heart mitochondrial complex II with an empty quinone-binding pocket To be Published
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5JKW
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![BU of 5jkw by Molmil](/molmil-images/mine/5jkw) | |
3MXB
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![BU of 3mxb by Molmil](/molmil-images/mine/3mxb) | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ... | Authors: | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G. | Deposit date: | 2010-05-07 | Release date: | 2010-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus. Nucleic Acids Res., 39, 2011
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5JMQ
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![BU of 5jmq by Molmil](/molmil-images/mine/5jmq) | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP3 | Descriptor: | 1,2-ETHANEDIOL, 9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine, CALCIUM ION, ... | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-04-29 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. Febs J., 284, 2017
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5J84
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![BU of 5j84 by Molmil](/molmil-images/mine/5j84) | |
4L94
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![BU of 4l94 by Molmil](/molmil-images/mine/4l94) | Crystal structure of Human Hsp90 with S46 | Descriptor: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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5EJ1
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![BU of 5ej1 by Molmil](/molmil-images/mine/5ej1) | Pre-translocation state of bacterial cellulose synthase | Descriptor: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ... | Authors: | Moragn, J.L.W, Zimmer, J. | Deposit date: | 2015-10-30 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Observing cellulose biosynthesis and membrane translocation in crystallo. Nature, 531, 2016
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6F6R
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![BU of 6f6r by Molmil](/molmil-images/mine/6f6r) | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | Descriptor: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | Authors: | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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5JAQ
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![BU of 5jaq by Molmil](/molmil-images/mine/5jaq) | Yersinia pestis FabV variant T276C | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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2VRS
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![BU of 2vrs by Molmil](/molmil-images/mine/2vrs) | Structure of avian reovirus sigmaC117-326, C2 crystal form | Descriptor: | CHLORIDE ION, GLYCEROL, SIGMA-C CAPSID PROTEIN, ... | Authors: | Guardado-Calvo, P, Fox, G.C, Llamas-Saiz, A.L, Benavente, J, van Raaij, M.J. | Deposit date: | 2008-04-14 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystallographic structure of the alpha-helical triple coiled-coil domain of avian reovirus S1133 fibre. J. Gen. Virol., 90, 2009
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5OVI
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![BU of 5ovi by Molmil](/molmil-images/mine/5ovi) | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor BAY-293 (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine, Son of sevenless homolog 1 | Authors: | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | Deposit date: | 2017-08-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2OZF
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![BU of 2ozf by Molmil](/molmil-images/mine/2ozf) | The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1) | Descriptor: | Ezrin-radixin-moesin-binding phosphoprotein 50 | Authors: | Phillips, C, Papagrigoriou, E, Gileadi, C, Fedorov, O, Elkins, J, Berridge, G, Turnbull, A.P, Gileadi, O, Schoch, G, Smee, C, Bray, J, Savitsky, P, Uppenberg, J, von Delft, F, Gorrec, F, Umeano, C, Salah, E, Colebrook, S, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-26 | Release date: | 2007-03-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the 2nd PDZ domain of the human NHERF-1 (SLC9A3R1) To be Published
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3AE6
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![BU of 3ae6 by Molmil](/molmil-images/mine/3ae6) | Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Isopropoxy-phenyl)-phthalamicacid | Descriptor: | 2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | Deposit date: | 2010-02-04 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Isopropoxy-phenyl)-phthalamicacid To be Published
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