6WGU
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![BU of 6wgu by Molmil](/molmil-images/mine/6wgu) | Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase | Descriptor: | Corrinoid adenosyltransferase, SULFATE ION | Authors: | Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R. | Deposit date: | 2020-04-06 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 . Proc.Natl.Acad.Sci.USA, 117, 2020
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4OKJ
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![BU of 4okj by Molmil](/molmil-images/mine/4okj) | Crystal structure of RNase AS from M tuberculosis | Descriptor: | 3'-5' exoribonuclease Rv2179c/MT2234.1, MAGNESIUM ION | Authors: | Romano, M, van de Weerd, R, Brouwer, F.C.C, Roviello, G.N, Lacroix, R, Sparrius, M, van den Brink-van Stempvoort, G, Maaskant, J.J, van der Sar, A.M, Appelmelk, B.J, Geurtsen, J.J, Berisio, R. | Deposit date: | 2014-01-22 | Release date: | 2014-05-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo Structure, 22, 2014
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6WMI
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![BU of 6wmi by Molmil](/molmil-images/mine/6wmi) | ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ... | Authors: | Ren, R, Horton, J.R, Cheng, X. | Deposit date: | 2020-04-21 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression. Mol.Cell, 81, 2021
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8EQJ
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![BU of 8eqj by Molmil](/molmil-images/mine/8eqj) | Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like membrane environment, MSP1D1 nanodisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | Deposit date: | 2022-10-07 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins. Elife, 12, 2023
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8EQU
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![BU of 8equ by Molmil](/molmil-images/mine/8equ) | Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like environment, Saposin A nanodisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein, Saposin A, ... | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins. Elife, 12, 2023
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8EQT
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![BU of 8eqt by Molmil](/molmil-images/mine/8eqt) | Structure of SARS-CoV-2 Orf3a in plasma membrane-like environment, MSP1D1 nanodisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins. Elife, 12, 2023
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8EQS
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![BU of 8eqs by Molmil](/molmil-images/mine/8eqs) | Structure of SARS-CoV-1 Orf3a in late endosome/lysosome-like environment, MSP1D1 nanodisc | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, ORF3a protein | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins. Elife, 12, 2023
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7C7P
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![BU of 7c7p by Molmil](/molmil-images/mine/7c7p) | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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4OKK
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![BU of 4okk by Molmil](/molmil-images/mine/4okk) | Crystal structure of RNase AS from M tuberculosis in complex with UMP | Descriptor: | 3'-5' exoribonuclease Rv2179c/MT2234.1, MAGNESIUM ION, URIDINE-5'-MONOPHOSPHATE | Authors: | Romano, M, van de Weerd, R, Brouwer, F.C.C, Roviello, G.N, Lacroix, R, Sparrius, M, van den Brink-van Stempvoort, G, Maaskant, J.J, van der Sar, A.M, Appelmelk, B.J, Geurtsen, J.J, Berisio, R. | Deposit date: | 2014-01-22 | Release date: | 2014-05-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo Structure, 22, 2014
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6R1N
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![BU of 6r1n by Molmil](/molmil-images/mine/6r1n) | Crystal structure of S. aureus seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Salimraj, R, Cain, R, Roper, D.I. | Deposit date: | 2019-03-14 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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6R1O
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![BU of 6r1o by Molmil](/molmil-images/mine/6r1o) | Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Salimraj, R, Cain, R, Roper, D.I. | Deposit date: | 2019-03-14 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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6R1M
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![BU of 6r1m by Molmil](/molmil-images/mine/6r1m) | Crystal structure of E. coli seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, PHOSPHATE ION, ... | Authors: | Salimraj, R, Cain, R, Roper, D.I. | Deposit date: | 2019-03-14 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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2D5B
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![BU of 2d5b by Molmil](/molmil-images/mine/2d5b) | Crystal Structure of Thermus Thermophilus Methionyl tRNA synthetase Y225F Mutant obtained in the presence of PEG6000 | Descriptor: | Methionyl-tRNA Synthetase, ZINC ION | Authors: | Konno, M, Takeda, R, Takasaka, R, Mori, Y, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-10-31 | Release date: | 2006-11-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Y225F/A Mutation for Met-tRNA synthetase reveals importance of hydrophobic circumstances To be Published
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | Descriptor: | 3C-like proteinase, boceprevir (bound form) | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | Deposit date: | 2020-08-04 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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8EG4
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![BU of 8eg4 by Molmil](/molmil-images/mine/8eg4) | [iU:Ag+:iU] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(5IU)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5IU)P*AP*CP*A*(AG))-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-09-10 | Release date: | 2023-04-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (4.18 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 35, 2023
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7CKJ
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![BU of 7ckj by Molmil](/molmil-images/mine/7ckj) | Crystal structure of CMP kinase in complex with CMP from Thermus thermophilus HB8 | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase | Authors: | Mega, R, Nakagawa, N, Kuramitsu, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2020-07-17 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structures of Thermus thermophilus CMP kinase complexed with a phosphoryl group acceptor and donor. PLoS ONE, 15, 2020
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5HPI
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![BU of 5hpi by Molmil](/molmil-images/mine/5hpi) | Crystal Structure of the Double Mutant of PobR Transcription Factor Inducer Binding Domain-3-Hydroxy Benzoic Acid complex from Acinetobacter | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, SULFATE ION, ... | Authors: | Kim, Y, Tesar, C, Jedrejczak, R, Jha, R, Strauss, C.E.M, Joachimiak, A. | Deposit date: | 2016-01-20 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.963 Å) | Cite: | A microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factor. Nucleic Acids Res., 44, 2016
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5HT8
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![BU of 5ht8 by Molmil](/molmil-images/mine/5ht8) | Crystal structure of clostrillin double mutant (S17H,S19H) in complex with nickel | Descriptor: | Beta and gamma crystallin, NICKEL (II) ION | Authors: | Jamkhindikar, A, Srivastava, S.S, Sankaranarayanan, R. | Deposit date: | 2016-01-26 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Transition Metal-Binding, Trimeric beta gamma-Crystallin from Methane-Producing Thermophilic Archaea, Methanosaeta thermophila Biochemistry, 56, 2017
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3VCR
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![BU of 3vcr by Molmil](/molmil-images/mine/3vcr) | Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica | Descriptor: | PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase | Authors: | Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-01-04 | Release date: | 2012-01-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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1O7D
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![BU of 1o7d by Molmil](/molmil-images/mine/1o7d) | The structure of the bovine lysosomal a-mannosidase suggests a novel mechanism for low pH activation | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Heikinheimo, P, Helland, R, Leiros, H.S, Leiros, I, Karlsen, S, Evjen, G, Ravelli, R, Schoehn, G, Ruigrok, R, Tollersrud, O.-K, Mcsweeney, S, Hough, E. | Deposit date: | 2002-10-30 | Release date: | 2003-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structure of Bovine Lysosomal Alpha-Mannosidase Suggests a Novel Mechanism for Low-Ph Activation J.Mol.Biol., 327, 2003
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7C8B
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![BU of 7c8b by Molmil](/molmil-images/mine/7c8b) | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK | Descriptor: | 3C-like proteinase, CHLORIDE ION, Z-VAD(OMe)-FMK | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-29 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK To Be Published
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6RTW
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![BU of 6rtw by Molmil](/molmil-images/mine/6rtw) | Crystal structure of the Patched-1 (PTCH1) ectodomain in complex with nanobody NB64 and cholesterol-hemisuccinate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Llama-derived nanobody NB64, ... | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-27 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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6RVC
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![BU of 6rvc by Molmil](/molmil-images/mine/6rvc) | Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody NB75, Protein patched homolog 1, ... | Authors: | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-31 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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6UFT
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![BU of 6uft by Molmil](/molmil-images/mine/6uft) | |
6RMK
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![BU of 6rmk by Molmil](/molmil-images/mine/6rmk) | Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | Deposit date: | 2019-05-07 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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