4GWM
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![BU of 4gwm by Molmil](/molmil-images/mine/4gwm) | Crystal structure of human promeprin beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane Proc.Natl.Acad.Sci.USA, 109, 2012
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1OUK
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![BU of 1ouk by Molmil](/molmil-images/mine/1ouk) | The structure of p38 alpha in complex with a pyridinylimidazole inhibitor | Descriptor: | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | Deposit date: | 2003-03-24 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
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6B0H
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![BU of 6b0h by Molmil](/molmil-images/mine/6b0h) | Crystal structure of Pfs25 in complex with the transmission blocking antibody 1262 | Descriptor: | 1,2-ETHANEDIOL, 1262 antibody, heavy chain, ... | Authors: | McLeod, B, Scally, S.W, Bosch, A, King, C.R, Julien, J.P. | Deposit date: | 2017-09-14 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25. Nat Commun, 8, 2017
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2HZ0
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![BU of 2hz0 by Molmil](/molmil-images/mine/2hz0) | Abl kinase domain in complex with NVP-AEG082 | Descriptor: | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | Deposit date: | 2006-08-08 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia. ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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1P2L
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![BU of 1p2l by Molmil](/molmil-images/mine/1p2l) | T4 Lysozyme Core Repacking Mutant V87I/TA | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | Deposit date: | 2003-04-15 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
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1P31
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![BU of 1p31 by Molmil](/molmil-images/mine/1p31) | Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae | Descriptor: | MAGNESIUM ION, UDP-N-acetylmuramate--alanine ligase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | Authors: | Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V. | Deposit date: | 2003-04-16 | Release date: | 2003-07-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae. J.Bacteriol., 185, 2003
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5M8P
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![BU of 5m8p by Molmil](/molmil-images/mine/5m8p) | Crystal structure of human tyrosinase related protein 1 in complex with tyrosine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2017-07-12 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
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1P43
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![BU of 1p43 by Molmil](/molmil-images/mine/1p43) | REVERSE PROTONATION IS THE KEY TO GENERAL ACID-BASE CATALYSIS IN ENOLASE | Descriptor: | 2-PHOSPHOGLYCERIC ACID, Enolase 1, MAGNESIUM ION | Authors: | Sims, P.A, Larsen, T.M, Poyner, R.R, Cleland, W.W, Reed, G.H. | Deposit date: | 2003-04-21 | Release date: | 2003-11-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reverse protonation is the key to general acid-base catalysis in enolase Biochemistry, 42, 2003
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1TQX
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![BU of 1tqx by Molmil](/molmil-images/mine/1tqx) | Crystal Structure of Pfal009167 A Putative D-Ribulose 5-Phosphate 3-Epimerase from P.falciparum | Descriptor: | D-ribulose-5-phosphate 3-epimerase, putative, SULFATE ION, ... | Authors: | Caruthers, J, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2004-06-18 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a ribulose 5-phosphate 3-epimerase from Plasmodium falciparum. Proteins, 62, 2006
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1OVK
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![BU of 1ovk by Molmil](/molmil-images/mine/1ovk) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-26 | Release date: | 2004-04-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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5MH5
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![BU of 5mh5 by Molmil](/molmil-images/mine/5mh5) | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution) | Descriptor: | 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, MAGNESIUM ION, ... | Authors: | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | Deposit date: | 2016-11-23 | Release date: | 2018-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism To Be Published
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8GPY
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![BU of 8gpy by Molmil](/molmil-images/mine/8gpy) | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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6J36
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![BU of 6j36 by Molmil](/molmil-images/mine/6j36) | crystal structure of Mycoplasma hyopneumoniae Enolase | Descriptor: | Enolase, GLYCEROL, SULFATE ION | Authors: | Chen, R, Zhang, S, Gan, R, Xie, X, Feng, Z, Wang, W, Ran, T, Zhang, W, Xiang, Q, Shao, G. | Deposit date: | 2019-01-04 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Featured Species-Specific Loops Are Found in the Crystal Structure ofMhpEno, a Cell Surface Adhesin FromMycoplasma hyopneumoniae. Front Cell Infect Microbiol, 9, 2019
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2VLE
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![BU of 2vle by Molmil](/molmil-images/mine/2vle) | The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase | Descriptor: | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL, DAIDZIN | Authors: | Lowe, E.D, Gao, G.Y, Johnson, L.N, Keung, W.M. | Deposit date: | 2008-01-13 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Daidzin, a Naturally Occurring Anti-Alcohol-Addiction Agent, in Complex with Human Mitochondrial Aldehyde Dehydrogenase. J.Med.Chem., 51, 2008
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1OWT
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![BU of 1owt by Molmil](/molmil-images/mine/1owt) | Structure of the Alzheimer's disease amyloid precursor protein copper binding domain | Descriptor: | Amyloid beta A4 protein | Authors: | Barnham, K.J, McKinstry, W.J, Multhaup, G, Galatis, D, Morton, C.J, Curtain, C.C, Williamson, N.A, White, A.R, Hinds, M.G, Norton, R.S, Beyreuther, K, Masters, C.L, Parker, M.W, Cappai, R. | Deposit date: | 2003-03-30 | Release date: | 2003-05-13 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure of the Alzheimer's Disease Amyloid Precursor Protein Copper Binding Domain. A REGULATOR OF NEURONAL COPPER HOMEOSTASIS. J.Biol.Chem., 278, 2003
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1R31
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![BU of 1r31 by Molmil](/molmil-images/mine/1r31) | HMG-CoA reductase from Pseudomonas mevalonii complexed with HMG-CoA | Descriptor: | (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, COENZYME A, ... | Authors: | Watson, J.M, Steussy, C.N, Burgner, J.W, Lawrence, C.M, Tabernero, L, Rodwell, V.W, Stauffacher, C.V. | Deposit date: | 2003-09-30 | Release date: | 2003-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-CoA Reductase. To be Published
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6TQ3
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![BU of 6tq3 by Molmil](/molmil-images/mine/6tq3) | |
5M8T
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![BU of 5m8t by Molmil](/molmil-images/mine/5m8t) | Crystal structure of human tyrosinase related protein 1 (T391V-R374S-Y362F) in complex with tropolone | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2017-07-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MA2
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![BU of 5ma2 by Molmil](/molmil-images/mine/5ma2) | PCE reductive dehalogenase from S. multivorans in complex with 4-iodophenol | Descriptor: | 4-IODOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-11-03 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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8GUB
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![BU of 8gub by Molmil](/molmil-images/mine/8gub) | Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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6B73
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![BU of 6b73 by Molmil](/molmil-images/mine/6b73) | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | Deposit date: | 2017-10-03 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell, 172, 2018
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6T3L
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![BU of 6t3l by Molmil](/molmil-images/mine/6t3l) | PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | Deposit date: | 2019-10-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser. Elife, 9, 2020
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8GUD
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![BU of 8gud by Molmil](/molmil-images/mine/8gud) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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6MZA
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![BU of 6mza by Molmil](/molmil-images/mine/6mza) | |
6T3U
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![BU of 6t3u by Molmil](/molmil-images/mine/6t3u) | PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | Deposit date: | 2019-10-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser. Elife, 9, 2020
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