5UI4
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![BU of 5ui4 by Molmil](/molmil-images/mine/5ui4) | Structure of NME1 covalently conjugated to imidazole fluorosulfate | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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5GN6
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![BU of 5gn6 by Molmil](/molmil-images/mine/5gn6) | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | Deposit date: | 2016-07-19 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei. Faseb J., 33, 2019
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2VHU
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![BU of 2vhu by Molmil](/molmil-images/mine/2vhu) | P4 PROTEIN FROM BACTERIOPHAGE PHI12 K241C mutant in complex with ADP and MgCl | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | Authors: | Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R. | Deposit date: | 2007-11-25 | Release date: | 2007-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor. J.Biol.Chem., 283, 2008
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5GN5
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![BU of 5gn5 by Molmil](/molmil-images/mine/5gn5) | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17 | Descriptor: | 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | Deposit date: | 2016-07-19 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei. Faseb J., 33, 2019
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5CN4
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![BU of 5cn4 by Molmil](/molmil-images/mine/5cn4) | Ultrafast dynamics in myoglobin: -0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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1GAE
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![BU of 1gae by Molmil](/molmil-images/mine/1gae) | COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY | Descriptor: | D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O. | Deposit date: | 1995-10-24 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity. J.Mol.Biol., 257, 1996
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1V0H
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![BU of 1v0h by Molmil](/molmil-images/mine/1v0h) | ASCOBATE PEROXIDASE FROM SOYBEAN CYTOSOL IN COMPLEX WITH SALICYLHYDROXAMIC ACID | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SALICYLHYDROXAMIC ACID, ... | Authors: | Sharp, K.H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2004-03-29 | Release date: | 2004-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal Structure of the Ascorbate Peroxidase-Salicylhydroxamic Acid Complex Biochemistry, 43, 2004
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1D1R
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![BU of 1d1r by Molmil](/molmil-images/mine/1d1r) | |
5CN5
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![BU of 5cn5 by Molmil](/molmil-images/mine/5cn5) | Ultrafast dynamics in myoglobin: 0 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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1I52
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![BU of 1i52 by Molmil](/molmil-images/mine/1i52) | CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHASE, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Richard, S.B, Bowman, M.E, Kwiatkowski, W, Kang, I, Chow, C, Lillo, M, Cane, D.E, Noel, J.P. | Deposit date: | 2001-02-23 | Release date: | 2001-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of 4-diphosphocytidyl-2-C- methylerythritol synthetase involved in mevalonate- independent isoprenoid biosynthesis. Nat.Struct.Biol., 8, 2001
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5CMV
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![BU of 5cmv by Molmil](/molmil-images/mine/5cmv) | Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CND
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![BU of 5cnd by Molmil](/molmil-images/mine/5cnd) | Ultrafast dynamics in myoglobin: 3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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2HSE
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![BU of 2hse by Molmil](/molmil-images/mine/2hse) | |
1LU1
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![BU of 1lu1 by Molmil](/molmil-images/mine/1lu1) | THE STRUCTURE OF THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH THE FORSSMAN DISACCHARIDE | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ADENINE, CALCIUM ION, ... | Authors: | Hamelryck, T.W, Loris, R, Bouckaert, J, Strecker, G, Imberty, A, Fernandez, E, Wyns, L, Etzler, M.E. | Deposit date: | 1998-07-24 | Release date: | 1998-12-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus. J.Mol.Biol., 286, 1999
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2GJ7
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![BU of 2gj7 by Molmil](/molmil-images/mine/2gj7) | Crystal Structure of a gE-gI/Fc complex | Descriptor: | Glycoprotein E, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sprague, E.R, Wang, C, Baker, D, Bjorkman, P.J. | Deposit date: | 2006-03-30 | Release date: | 2006-05-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Crystal Structure of the HSV-1 Fc Receptor Bound to Fc Reveals a Mechanism for Antibody Bipolar Bridging. Plos Biol., 4, 2006
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7LOX
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![BU of 7lox by Molmil](/molmil-images/mine/7lox) | The structure of Agmatinase from E. Coli at 3.2 A displaying guanidine in the active site | Descriptor: | Agmatinase, GUANIDINE, MANGANESE (II) ION | Authors: | Maturana, P, Figueroa, M, Gonzalez-Ordenes, F, Villalobos, P, Martinez-Oyanedel, J, Uribe, E.A, Castro-Fernandez, V. | Deposit date: | 2021-02-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity. Int J Mol Sci, 22, 2021
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7LOL
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![BU of 7lol by Molmil](/molmil-images/mine/7lol) | The structure of Agmatinase from E. Coli at 1.8 A displaying urea and agmatine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AGMATINE, Agmatinase, ... | Authors: | Maturana, P, Figueroa, M, Gonzalez-Ordenes, F, Villalobos, P, Martinez-Oyanedel, J, Uribe, E.A, Castro-Fernandez, V. | Deposit date: | 2021-02-10 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity. Int J Mol Sci, 22, 2021
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1HFE
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![BU of 1hfe by Molmil](/molmil-images/mine/1hfe) | 1.6 A RESOLUTION STRUCTURE OF THE FE-ONLY HYDROGENASE FROM DESULFOVIBRIO DESULFURICANS | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | Authors: | Nicolet, Y, Piras, C, Legrand, P, Hatchikian, E.C, Fontecilla-Camps, J.C. | Deposit date: | 1998-11-11 | Release date: | 1999-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center. Structure Fold.Des., 7, 1999
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4G1V
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![BU of 4g1v by Molmil](/molmil-images/mine/4g1v) | X-ray structure of yeast flavohemoglobin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, NITRITE ION, ... | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U. | Deposit date: | 2012-07-11 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole. Febs J., 279, 2012
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1LM3
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![BU of 1lm3 by Molmil](/molmil-images/mine/1lm3) | A Multi-generation Analysis of Cytochrome b562 Redox Variants: Evolutionary Strategies for Modulating Redox Potential Revealed Using a Library Approach | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SOLUBLE CYTOCHROME B562 | Authors: | Springs, S.L, Bass, S.E, Bowman, G, Nodelman, I, Schutt, C.E, McLendon, G.L. | Deposit date: | 2002-04-30 | Release date: | 2002-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multigeneration analysis of cytochrome b(562) redox variants: evolutionary strategies for modulating redox potential revealed using a library approach. Biochemistry, 41, 2002
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2ADF
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![BU of 2adf by Molmil](/molmil-images/mine/2adf) | Crystal Structure and Paratope Determination of 82D6A3, an Antithrombotic Antibody Directed Against the von Willebrand factor A3-Domain | Descriptor: | 82D6A3 IgG, ACETIC ACID, GLYCEROL, ... | Authors: | Staelens, S, Hadders, M.A, Vauterin, S, Platteau, C, Vanhoorelbeke, K, Huizinga, E.G, Deckmyn, H. | Deposit date: | 2005-07-20 | Release date: | 2005-12-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Paratope determination of the antithrombotic antibody 82D6A3 based on the crystal structure of its complex with the von Willebrand factor A3-domain J.Biol.Chem., 281, 2006
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2AE9
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![BU of 2ae9 by Molmil](/molmil-images/mine/2ae9) | Solution Structure of the theta subunit of DNA polymerase III from E. coli | Descriptor: | DNA polymerase III, theta subunit | Authors: | Mueller, G.A, Kirby, T.W, Derose, E.F, Li, D, Schaaper, R.M, London, R.E. | Deposit date: | 2005-07-21 | Release date: | 2005-10-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Solution Structure of the Escherichia coli DNA Polymerase III {theta} Subunit. J.Bacteriol., 187, 2005
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4PYT
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![BU of 4pyt by Molmil](/molmil-images/mine/4pyt) | Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Cao, H, Franz, L, Sen, S, Bingman, C.A, Auldridge, M, Steinmetz, E, Mead, D, Phillips Jr, G.N. | Deposit date: | 2014-03-27 | Release date: | 2014-05-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | LucY: A Versatile New Fluorescent Reporter Protein. Plos One, 10, 2015
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1IX9
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![BU of 1ix9 by Molmil](/molmil-images/mine/1ix9) | Crystal Structure of the E. coli Manganase(III) superoxide dismutase mutant Y174F at 0.90 angstroms resolution. | Descriptor: | MANGANESE (II) ION, Superoxide Dismutase | Authors: | Anderson, B.F, Edwards, R.A, Whittaker, M.M, Whittaker, J.W, Baker, E.N, Jameson, G.B. | Deposit date: | 2002-06-17 | Release date: | 2002-12-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Structures at 0.90 A resolution of the oxidised and reduced forms of the Y174F mutant of the manganese superoxide dismutase from Escherichia coli To be Published
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2OMT
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![BU of 2omt by Molmil](/molmil-images/mine/2omt) | Crystal structure of InlA G194S+S/hEC1 complex | Descriptor: | CALCIUM ION, CHLORIDE ION, Epithelial-cadherin; E-Cad/CTF1, ... | Authors: | Wollert, T, Heinz, D.W, Schubert, W.D. | Deposit date: | 2007-01-23 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin. Proc.Natl.Acad.Sci.Usa, 104, 2007
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