8WKY
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![BU of 8wky by Molmil](/molmil-images/mine/8wky) | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25 | Descriptor: | CALCIUM ION, Melanocortin receptor 4, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, ... | Authors: | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | Deposit date: | 2023-09-28 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design. J.Med.Chem., 67, 2024
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6SAO
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![BU of 6sao by Molmil](/molmil-images/mine/6sao) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-07-17 | Release date: | 2019-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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6SAV
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![BU of 6sav by Molmil](/molmil-images/mine/6sav) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, CALCIUM ION, ... | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-07-17 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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6SAU
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![BU of 6sau by Molmil](/molmil-images/mine/6sau) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance. | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, SODIUM ION, ... | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tinaqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-07-17 | Release date: | 2019-10-23 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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1YBJ
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![BU of 1ybj by Molmil](/molmil-images/mine/1ybj) | Structural and Dynamics studies of both apo and holo forms of the hemophore HasA | Descriptor: | Hemophore HasA | Authors: | Wolff, N, Izadi-Pruneyre, N, Couprie, J, Habeck, M, Linge, J, Rieping, W, Wandersman, C, Nilges, M, Delepierre, M, Lecroisey, A. | Deposit date: | 2004-12-21 | Release date: | 2005-12-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Comparative analysis of structural and dynamic properties of the loaded and unloaded hemophore HasA: functional implications. J.Mol.Biol., 376, 2008
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2M2K
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![BU of 2m2k by Molmil](/molmil-images/mine/2m2k) | The structure of HasB CTD | Descriptor: | HasB protein | Authors: | Prochnicka-Chalufour, A, Lefevre, J, Simenel, C, Delepelaire, P, Wandersman, C, Delepierre, M, Izadi-Pruneyre, N. | Deposit date: | 2012-12-26 | Release date: | 2013-04-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Structure of HasB Reveals a New Class of TonB Protein Fold. Plos One, 8, 2013
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6GXV
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![BU of 6gxv by Molmil](/molmil-images/mine/6gxv) | Amylase in complex with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, A-amylase, CALCIUM ION, ... | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | Deposit date: | 2018-06-27 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family. Acta Crystallogr D Struct Biol, 75, 2019
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6GYA
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![BU of 6gya by Molmil](/molmil-images/mine/6gya) | Amylase in complex with branched ligand | Descriptor: | A-amylase, CALCIUM ION, SODIUM ION, ... | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | Deposit date: | 2018-06-28 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family. Acta Crystallogr D Struct Biol, 75, 2019
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2CN4
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![BU of 2cn4 by Molmil](/molmil-images/mine/2cn4) | The crystal structure of the secreted dimeric form of the hemophore HasA reveals a domain swapping with an exchanged heme ligand | Descriptor: | HEMOPHORE HASA, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Czjzek, M, Letoffe, S, Wandersman, C, Delepierre, M, Lecroisey, A, Izadi-Pruneyre, N. | Deposit date: | 2006-05-18 | Release date: | 2006-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of the Secreted Dimeric Form of the Hemophore Hasa Reveals a Domain Swapping with an Exchanged Heme Ligand J.Mol.Biol., 365, 2007
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1H15
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![BU of 1h15 by Molmil](/molmil-images/mine/1h15) | X-ray crystal structure of HLA-DRA1*0101/DRB5*0101 complexed with a peptide from Epstein Barr Virus DNA polymerase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA POLYMERASE, ... | Authors: | Lang, H, Jacobsen, H, Ikemizu, S, Andersson, C, Harlos, K, Madsen, L, Hjorth, P, Sondergaard, L, Svejgaard, A, Wucherpfennig, K, Stuart, D.I, Bell, J.I, Jones, E.Y, Fugger, L. | Deposit date: | 2002-07-02 | Release date: | 2002-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Functional and Structural Basis for Tcr Cross-Reactivity in Multiple Sclerosis Nat.Immunol., 3, 2002
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4CTH
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![BU of 4cth by Molmil](/molmil-images/mine/4cth) | Neprilysin variant G399V,G714K in complex with phosphoramidon | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | Authors: | Webster, C.I, Burrell, M, Olsson, L, Fowler, S.B, Digby, S, Sandercock, A, Snijder, A, Tebbe, J, Haupts, U, Grudzinska, J, Jermutus, L, Andersson, C. | Deposit date: | 2014-03-13 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Engineering Neprilysin Activity and Specificity to Create a Novel Therapeutic for Alzheimer'S Disease. Plos One, 9, 2014
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5F1R
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![BU of 5f1r by Molmil](/molmil-images/mine/5f1r) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10) | Descriptor: | (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, Listeriolysin regulatory protein | Authors: | Begum, A, Grundstrom, C, Good, J.A.D, Andersson, C, ALmqvist, F, Johansson, J, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-30 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA. Cell Chem Biol, 23, 2016
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1SMP
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![BU of 1smp by Molmil](/molmil-images/mine/1smp) | CRYSTAL STRUCTURE OF A COMPLEX BETWEEN SERRATIA MARCESCENS METALLO-PROTEASE AND AN INHIBITOR FROM ERWINIA CHRYSANTHEMI | Descriptor: | CALCIUM ION, ERWINIA CHRYSANTHEMI INHIBITOR, SERRATIA METALLO PROTEINASE, ... | Authors: | Baumann, U, Bauer, M, Letoffe, S, Delepelaire, P, Wandersman, C. | Deposit date: | 1995-01-13 | Release date: | 1996-04-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a complex between Serratia marcescens metallo-protease and an inhibitor from Erwinia chrysanthemi. J.Mol.Biol., 248, 1995
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5DWK
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![BU of 5dwk by Molmil](/molmil-images/mine/5dwk) | Diacylglycerol Kinase solved by multi crystal multi orientation native SAD | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ... | Authors: | Weinert, T, Olieric, V, Finke, A.D, Li, D, Caffrey, M, Wang, M. | Deposit date: | 2015-09-22 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Data-collection strategy for challenging native SAD phasing. Acta Crystallogr D Struct Biol, 72, 2016
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4OGE
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![BU of 4oge by Molmil](/molmil-images/mine/4oge) | Crystal structure of the Type II-C Cas9 enzyme from Actinomyces naeslundii | Descriptor: | HNH endonuclease domain protein, MAGNESIUM ION, SPERMIDINE, ... | Authors: | Jiang, F, Ma, E, Lin, S, Doudna, J.A. | Deposit date: | 2014-01-15 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structures of Cas9 endonucleases reveal RNA-mediated conformational activation. Science, 343, 2014
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4OGC
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![BU of 4ogc by Molmil](/molmil-images/mine/4ogc) | Crystal structure of the Type II-C Cas9 enzyme from Actinomyces naeslundii | Descriptor: | ACETATE ION, HNH endonuclease domain protein, MAGNESIUM ION, ... | Authors: | Jiang, F, Ma, E, Lin, S, Doudna, J.A. | Deposit date: | 2014-01-15 | Release date: | 2014-02-12 | Last modified: | 2014-03-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Cas9 endonucleases reveal RNA-mediated conformational activation. Science, 343, 2014
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5OV9
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![BU of 5ov9 by Molmil](/molmil-images/mine/5ov9) | Crystal structure of Acetylcholinesterase in complex with Crystal Violet | Descriptor: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Allgardsson, A, Andersson, C.D, Akfur, C, Worek, F, Linusson, A, Ekstrom, F. | Deposit date: | 2017-08-28 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet. Molecules, 22, 2017
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4W1O
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![BU of 4w1o by Molmil](/molmil-images/mine/4w1o) | PDE4D complexed with inhibitor | Descriptor: | N-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Authors: | Sorensen, M.D. | Deposit date: | 2014-08-14 | Release date: | 2014-11-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis J.Med.Chem, 57, 2014
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4WCU
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![BU of 4wcu by Molmil](/molmil-images/mine/4wcu) | PDE4 complexed with inhibitor | Descriptor: | MAGNESIUM ION, N-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide, ZINC ION, ... | Authors: | Sorensen, M.D. | Deposit date: | 2014-09-05 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery and Early Clinical Development of 2-{6-[2-(3,5-Dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a Soft-Drug Inhibitor of Phosphodiesterase 4 for Topical Treatment of Atopic Dermatitis. J. Med. Chem., 57, 2014
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4UZU
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![BU of 4uzu by Molmil](/molmil-images/mine/4uzu) | Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Offen, W.A, Anderson, C, Borchert, T.V, Wilson, K.S, Davies, G.J. | Deposit date: | 2014-09-09 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Structure of a Variant `Termamyl-Like' Geobacillus Stearothermophilus Alpha-Amylase at 1.9 A Resolution Acta Crystallogr.,Sect.F, 71, 2015
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1B2V
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![BU of 1b2v by Molmil](/molmil-images/mine/1b2v) | HEME-BINDING PROTEIN A | Descriptor: | CALCIUM ION, PROTEIN (HEME-BINDING PROTEIN A), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Arnoux, P, Haser, R, Izadi, N, Lecroisey, A, Wandersma, N.C, Czjzek, M. | Deposit date: | 1998-12-01 | Release date: | 1999-06-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of HasA, a hemophore secreted by Serratia marcescens. Nat.Struct.Biol., 6, 1999
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6EUT
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![BU of 6eut by Molmil](/molmil-images/mine/6eut) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | Descriptor: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EXM
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![BU of 6exm by Molmil](/molmil-images/mine/6exm) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-11-08 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUZ
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![BU of 6euz by Molmil](/molmil-images/mine/6euz) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | Descriptor: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EXL
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![BU of 6exl by Molmil](/molmil-images/mine/6exl) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-11-08 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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