5TIS
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![BU of 5tis by Molmil](/molmil-images/mine/5tis) | Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2016-10-03 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25000381 Å) | Cite: | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
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4GV1
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![BU of 4gv1 by Molmil](/molmil-images/mine/4gv1) | PKB alpha in complex with AZD5363 | Descriptor: | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase | Authors: | Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L. | Deposit date: | 2012-08-30 | Release date: | 2013-02-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases. J.Med.Chem., 56, 2013
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2XXS
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![BU of 2xxs by Molmil](/molmil-images/mine/2xxs) | Solution structure of the N-terminal domain of the Shigella type III secretion protein MxiG | Descriptor: | PROTEIN MXIG | Authors: | McDowell, M.A, Johnson, S, Deane, J.E, McDonnell, J.M, Lea, S.M. | Deposit date: | 2010-11-11 | Release date: | 2011-07-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Functional Studies on the N-Terminal Domain of the Shigella Type III Secretion Protein Mxig. J.Biol.Chem., 286, 2011
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4AJO
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![BU of 4ajo by Molmil](/molmil-images/mine/4ajo) | rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S. | Deposit date: | 2012-02-16 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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1PXN
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![BU of 1pxn by Molmil](/molmil-images/mine/1pxn) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | Descriptor: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXO
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![BU of 1pxo by Molmil](/molmil-images/mine/1pxo) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | Descriptor: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXM
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![BU of 1pxm by Molmil](/molmil-images/mine/1pxm) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | Descriptor: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXP
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![BU of 1pxp by Molmil](/molmil-images/mine/1pxp) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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6G2J
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![BU of 6g2j by Molmil](/molmil-images/mine/6g2j) | Mouse mitochondrial complex I in the active state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J. | Deposit date: | 2018-03-23 | Release date: | 2018-06-06 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states. Nat. Struct. Mol. Biol., 25, 2018
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6T1H
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![BU of 6t1h by Molmil](/molmil-images/mine/6t1h) | OXA-51-like beta-lactamase OXA-66 | Descriptor: | Beta-lactamase OXA-66, ZINC ION | Authors: | Takebayashi, Y, Chirgadze, D, Henderson, S, Warburton, P.J, Evans, B.E. | Deposit date: | 2019-10-04 | Release date: | 2020-10-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the OXA-51-like beta-lactamase OXA-66 To Be Published
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6G72
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![BU of 6g72 by Molmil](/molmil-images/mine/6g72) | Mouse mitochondrial complex I in the deactive state | Descriptor: | ACETYL GROUP, ADENOSINE-5'-DIPHOSPHATE, Acyl carrier protein, ... | Authors: | Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J. | Deposit date: | 2018-04-04 | Release date: | 2018-06-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states. Nat. Struct. Mol. Biol., 25, 2018
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6RPT
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![BU of 6rpt by Molmil](/molmil-images/mine/6rpt) | |
6GSE
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![BU of 6gse by Molmil](/molmil-images/mine/6gse) | |
8BDC
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![BU of 8bdc by Molmil](/molmil-images/mine/8bdc) | Human apo TRPM8 in a closed state (composite map) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Palchevskyi, S, Czarnocki-Cieciura, M, Vistoli, G, Gervasoni, S, Nowak, E, Beccari, A.R, Nowotny, M, Talarico, C. | Deposit date: | 2022-10-19 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Structure of human TRPM8 channel. Commun Biol, 6, 2023
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6Q0T
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![BU of 6q0t by Molmil](/molmil-images/mine/6q0t) | Structure of a MAPK pathway complex | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Park, E, Rawson, S, Jeon, H, Eck, M.J. | Deposit date: | 2019-08-02 | Release date: | 2019-10-09 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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6SAN
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![BU of 6san by Molmil](/molmil-images/mine/6san) | SALSA / DMBT1 / GP340 SRCR domain 8 soaked in calcium and magnesium | Descriptor: | CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ... | Authors: | Reichhardt, M.P, Johnson, S, Loimaranta, V, Lea, S.M. | Deposit date: | 2019-07-17 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
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6SA5
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![BU of 6sa5 by Molmil](/molmil-images/mine/6sa5) | SALSA / DMBT1 / GP340 SRCR domain 8 | Descriptor: | Deleted in malignant brain tumors 1 protein, GLYCEROL, MAGNESIUM ION, ... | Authors: | Reichhardt, M.P, Johnson, S, Loimaranta, V, Lea, S.M. | Deposit date: | 2019-07-16 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
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6RQJ
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![BU of 6rqj by Molmil](/molmil-images/mine/6rqj) | Structure of human complement C5 complexed with tick inhibitors OmCI, RaCI1 and CirpT1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5, Complement inhibitor, ... | Authors: | Reichhardt, M.P, Johnson, S, Lea, S.M. | Deposit date: | 2019-05-15 | Release date: | 2020-01-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An inhibitor of complement C5 provides structural insights into activation. Proc.Natl.Acad.Sci.USA, 117, 2020
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6SA4
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![BU of 6sa4 by Molmil](/molmil-images/mine/6sa4) | SALSA / DMBT1 / GP340 SRCR domain 1 | Descriptor: | CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ... | Authors: | Reichhardt, M.P, Lea, S.M, Johnson, S. | Deposit date: | 2019-07-16 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
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1YIY
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![BU of 1yiy by Molmil](/molmil-images/mine/1yiy) | Aedes aegypti kynurenine aminotransferase | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BROMIDE ION, kynurenine aminotransferase; glutamine transaminase K | Authors: | Han, Q, Gao, Y.G, Robinson, H, Ding, H, Wilson, S, Li, J. | Deposit date: | 2005-01-13 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Aedes aegypti kynurenine aminotransferase. FEBS J., 272, 2005
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1YIZ
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![BU of 1yiz by Molmil](/molmil-images/mine/1yiz) | Aedes aegypti kynurenine aminotrasferase | Descriptor: | BROMIDE ION, kynurenine aminotransferase; glutamine transaminase | Authors: | Han, Q, Gao, Y.G, Robinson, H, Ding, H, Wilson, S, Li, J. | Deposit date: | 2005-01-13 | Release date: | 2005-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of Aedes aegypti kynurenine aminotransferase. FEBS J., 272, 2005
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5WAL
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![BU of 5wal by Molmil](/molmil-images/mine/5wal) | |
2VXS
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![BU of 2vxs by Molmil](/molmil-images/mine/2vxs) | Structure of IL-17A in complex with a potent, fully human neutralising antibody | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | Deposit date: | 2008-07-09 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody. J.Mol.Biol., 394, 2009
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2XRC
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![BU of 2xrc by Molmil](/molmil-images/mine/2xrc) | Human complement factor I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HUMAN COMPLEMENT FACTOR I | Authors: | Roversi, P, Johnson, S, Lea, S.M. | Deposit date: | 2010-09-13 | Release date: | 2011-07-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural Basis for Complement Factor I Control and its Disease-Associated Sequence Polymorphisms. Proc.Natl.Acad.Sci.USA, 108, 2011
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2XGA
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![BU of 2xga by Molmil](/molmil-images/mine/2xga) | MTSL spin-labelled Shigella Flexneri Spa15 | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAK | Authors: | Lillington, J.E.D, Johnson, S, Lea, S.M. | Deposit date: | 2010-06-02 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shigella Flexneri Spa15 Crystal Structure Verified in Solution by Double Electron Electron Resonance. J.Mol.Biol., 405, 2011
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