3BAJ
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![BU of 3baj by Molmil](/molmil-images/mine/3baj) | Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | Deposit date: | 2007-11-07 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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5NCQ
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![BU of 5ncq by Molmil](/molmil-images/mine/5ncq) | Structure of the (SR) Ca2+-ATPase bound to a Tetrahydrocarbazole and TNP-ATP | Descriptor: | (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, ... | Authors: | Bublitz, M, Kjellerup, L, O'Hanlon Cohrt, K, Gordon, S, Mortensen, A.L, Clausen, J.D, Pallin, D, Hansen, J.B, Brown, W.D, Fuglsang, A, Winther, A.-M.L. | Deposit date: | 2017-03-06 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity. PLoS ONE, 13, 2018
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7K4A
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![BU of 7k4a by Molmil](/molmil-images/mine/7k4a) | Cryo-EM structure of human TRPV6 in the open state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | Deposit date: | 2020-09-15 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
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7K0K
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![BU of 7k0k by Molmil](/molmil-images/mine/7k0k) | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa, 3KS-bound | Descriptor: | 3-Dehydrosphinganine, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | Deposit date: | 2020-09-04 | Release date: | 2021-02-24 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes. Nat.Struct.Mol.Biol., 28, 2021
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3EL3
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![BU of 3el3 by Molmil](/molmil-images/mine/3el3) | Distinct Monooxygenase and Farnesene Synthase Active Sites in Cytochrome P450 170A1 | Descriptor: | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | Authors: | Zhao, B, Waterman, M.R. | Deposit date: | 2008-09-19 | Release date: | 2009-09-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site J.Biol.Chem., 284, 2009
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6VYK
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![BU of 6vyk by Molmil](/molmil-images/mine/6vyk) | Cryo-EM structure of mechanosensitive channel MscS in PC-18:1 nanodiscs | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mechanosensitive channel MscS | Authors: | Zhang, Y, Daday, C, Gu, R, Cox, C.D, Martinac, B, Groot, B, Walz, T. | Deposit date: | 2020-02-27 | Release date: | 2021-02-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Visualization of the mechanosensitive ion channel MscS under membrane tension. Nature, 590, 2021
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6W30
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![BU of 6w30 by Molmil](/molmil-images/mine/6w30) | Protein Tyrosine Phosphatase 1B Bound to Amorphadiene | Descriptor: | Amorphadiene, GLYCEROL, MAGNESIUM ION, ... | Authors: | Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J. | Deposit date: | 2020-03-08 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products. Acs Synth Biol, 10, 2021
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4O4I
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![BU of 4o4i by Molmil](/molmil-images/mine/4o4i) | Tubulin-Laulimalide-Epothilone A complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2013-12-18 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside a. Angew.Chem.Int.Ed.Engl., 53, 2014
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6XA9
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![BU of 6xa9 by Molmil](/molmil-images/mine/6xa9) | SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide | Descriptor: | GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ... | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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6XAA
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![BU of 6xaa by Molmil](/molmil-images/mine/6xaa) | SARS CoV-2 PLpro in complex with ubiquitin propargylamide | Descriptor: | Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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3HD3
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![BU of 3hd3 by Molmil](/molmil-images/mine/3hd3) | High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047 | Descriptor: | (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ... | Authors: | Kerr, I.D, Debnath, M, Brinen, L.S. | Deposit date: | 2009-05-06 | Release date: | 2009-10-06 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg.Med.Chem.Lett., 19, 2009
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4O4H
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![BU of 4o4h by Molmil](/molmil-images/mine/4o4h) | Tubulin-Laulimalide complex | Descriptor: | CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2013-12-18 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside a. Angew.Chem.Int.Ed.Engl., 53, 2014
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4O4J
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![BU of 4o4j by Molmil](/molmil-images/mine/4o4j) | Tubulin-Peloruside A complex | Descriptor: | CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2013-12-18 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside A. Angew.Chem.Int.Ed.Engl., 53, 2014
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4O4L
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![BU of 4o4l by Molmil](/molmil-images/mine/4o4l) | Tubulin-Peloruside A-Epothilone A complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2013-12-18 | Release date: | 2014-03-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside a. Angew.Chem.Int.Ed.Engl., 53, 2014
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2CBO
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![BU of 2cbo by Molmil](/molmil-images/mine/2cbo) | Crystal structure of the neocarzinostatin 3Tes24 mutant bound to testosterone hemisuccinate. | Descriptor: | NEOCARZINOSTATIN, SULFATE ION, TESTOSTERONE HEMISUCCINATE | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, van Tilbeurgh, H, Minard, P. | Deposit date: | 2006-01-06 | Release date: | 2006-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways. J.Mol.Biol., 358, 2006
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2CBT
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![BU of 2cbt by Molmil](/molmil-images/mine/2cbt) | Crystal structure of the neocarzinostatin 4Tes1 mutant bound testosterone hemisuccinate. | Descriptor: | NEOCARZINOSTATIN, TESTOSTERONE HEMISUCCINATE | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P. | Deposit date: | 2006-01-06 | Release date: | 2006-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways. J.Mol.Biol., 358, 2006
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4NAB
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![BU of 4nab by Molmil](/molmil-images/mine/4nab) | Structure of the (SR)Ca2+-ATPase mutant E309Q in the Ca2-E1-MgAMPPCP form | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Bublitz, M, Clausen, J.D, Arnou, B, Montigny, C, Jaxel, C, Nissen, P, Moller, J.V, Andersen, J.P, le Maire, M. | Deposit date: | 2013-10-22 | Release date: | 2013-12-18 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | SERCA mutant E309Q binds two Ca(2+) ions but adopts a catalytically incompetent conformation. Embo J., 32, 2013
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6Y8K
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![BU of 6y8k by Molmil](/molmil-images/mine/6y8k) | Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | Deposit date: | 2020-03-05 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist. J Immunother Cancer, 9, 2021
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6W4E
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![BU of 6w4e by Molmil](/molmil-images/mine/6w4e) | NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ... | Authors: | Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M. | Deposit date: | 2020-03-10 | Release date: | 2020-04-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement. Angew.Chem.Int.Ed.Engl., 59, 2020
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3H6T
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![BU of 3h6t by Molmil](/molmil-images/mine/3h6t) | Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 A resolution | Descriptor: | ACETATE ION, CACODYLATE ION, CYCLOTHIAZIDE, ... | Authors: | Hald, H, Gajhede, M, Kastrup, J.S. | Deposit date: | 2009-04-24 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2. J.Mol.Biol., 391, 2009
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3IRX
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![BU of 3irx by Molmil](/molmil-images/mine/3irx) | Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. | Descriptor: | (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H | Authors: | Ho, W.C, Arnold, E. | Deposit date: | 2009-08-24 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the
alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. J.Med.Chem., 52, 2009
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1SSJ
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![BU of 1ssj by Molmil](/molmil-images/mine/1ssj) | A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER) | Descriptor: | 5'-D(*CP*CP*AP*CP*(HOB)P*GP*GP*AP*AP*C)-3', 5'-D(GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3' | Authors: | Gomez-Pinto, I, Cubero, E, Kalko, S.G, Monaco, V, van der Marel, G, van Boom, J.H, Orozco, M, Gonzalez, C. | Deposit date: | 2004-03-24 | Release date: | 2004-06-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Effect of bulky lesions on DNA: Solution structure of a DNA duplex containing a cholesterol adduct. J.Biol.Chem., 279, 2004
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7P18
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![BU of 7p18 by Molmil](/molmil-images/mine/7p18) | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Sterolibacterium denitrificans in complex with 1,4-androstadiene-3,17-dione | Descriptor: | 3-oxosteroid 1-dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wojcik, P, Mrugala, B, Kurpiewska, K, Szaleniec, M. | Deposit date: | 2021-07-01 | Release date: | 2021-07-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure, Mutagenesis, and QM:MM Modeling of 3-Ketosteroid Delta 1 -Dehydrogenase from Sterolibacterium denitrificans ─The Role of a New Putative Membrane-Associated Domain and Proton-Relay System in Catalysis. Biochemistry, 62, 2023
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7ONB
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![BU of 7onb by Molmil](/molmil-images/mine/7onb) | Structure of the U2 5' module of the A3'-SSA complex | Descriptor: | MINX, PHD finger-like domain-containing protein 5A, RNU2, ... | Authors: | Cretu, C, Pena, V. | Deposit date: | 2021-05-25 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors. Nat Commun, 12, 2021
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7OO6
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![BU of 7oo6 by Molmil](/molmil-images/mine/7oo6) | Mechanosensitive channel MscS solubilized with DDM in closed conformation with added lipid | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, DODECYL-BETA-D-MALTOSIDE, Mechanosensitive channel of small conductance (MscS) | Authors: | Rasmussen, T, Flegler, V.J, Boettcher, B. | Deposit date: | 2021-05-26 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanosensitive channel gating by delipidation. Proc.Natl.Acad.Sci.USA, 118, 2021
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