7NKV
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5JKI
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![BU of 5jki by Molmil](/molmil-images/mine/5jki) | Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ... | Authors: | El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T. | Deposit date: | 2016-04-26 | Release date: | 2017-02-22 | Last modified: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis. Cell. Mol. Life Sci., 74, 2017
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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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6EUU
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![BU of 6euu by Molmil](/molmil-images/mine/6euu) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29) | Descriptor: | (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-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 (2.6 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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6EV0
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![BU of 6ev0 by Molmil](/molmil-images/mine/6ev0) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129) | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, 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 (2.3 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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6EXK
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![BU of 6exk by Molmil](/molmil-images/mine/6exk) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, 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 (2.1 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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7OYJ
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6YKD
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![BU of 6ykd by Molmil](/molmil-images/mine/6ykd) | Human Pim-1 kinase in complex with an inhibitor identified by virtual screening | Descriptor: | ACETATE ION, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | Authors: | Schneider, P, Welin, M, Svensson, B, Walse, B, Schneider, G. | Deposit date: | 2020-04-06 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors. Mol Inform, 39, 2020
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6Y3H
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![BU of 6y3h by Molmil](/molmil-images/mine/6y3h) | NMR solution structure of the hazelnut allergen Cor a 1.0401 | Descriptor: | Major allergen Cor a 1.0401 | Authors: | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | Deposit date: | 2020-02-18 | Release date: | 2021-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Sci Rep, 11, 2021
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6Y3L
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![BU of 6y3l by Molmil](/molmil-images/mine/6y3l) | NMR solution structure of the hazelnut allergen Cor a 1.0404 | Descriptor: | Major allergen variant Cor a 1.0404 | Authors: | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | Deposit date: | 2020-02-18 | Release date: | 2021-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Sci Rep, 11, 2021
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6Y3I
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![BU of 6y3i by Molmil](/molmil-images/mine/6y3i) | NMR solution structure of the hazelnut allergen Cor a 1.0402 | Descriptor: | Major allergen variant Cor a 1.0402 | Authors: | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | Deposit date: | 2020-02-18 | Release date: | 2021-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Sci Rep, 11, 2021
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6Y3K
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![BU of 6y3k by Molmil](/molmil-images/mine/6y3k) | NMR solution structure of the hazelnut allergen Cor a 1.0403 | Descriptor: | Major allergen variant Cor a 1.0403 | Authors: | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | Deposit date: | 2020-02-18 | Release date: | 2021-02-17 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Sci Rep, 11, 2021
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6G5G
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![BU of 6g5g by Molmil](/molmil-images/mine/6g5g) | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6G5K
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![BU of 6g5k by Molmil](/molmil-images/mine/6g5k) | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-1 | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6GP2
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![BU of 6gp2 by Molmil](/molmil-images/mine/6gp2) | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, DOPA-active form | Descriptor: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | Authors: | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | Deposit date: | 2018-06-05 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens. Nature, 563, 2018
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6G5F
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![BU of 6g5f by Molmil](/molmil-images/mine/6g5f) | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6GP3
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![BU of 6gp3 by Molmil](/molmil-images/mine/6gp3) | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, inactive form | Descriptor: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | Authors: | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | Deposit date: | 2018-06-05 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens. Nature, 563, 2018
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6SIU
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![BU of 6siu by Molmil](/molmil-images/mine/6siu) | Crystal structure of IbpAFic2 covalently tethered to Cdc42 | Descriptor: | Cell division control protein 42 homolog, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Gulen, B, Roselin, M, Albers, M, Hedberg, C, Itzen, A, Pogenberg, V. | Deposit date: | 2019-08-12 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Identification of targets of AMPylating Fic enzymes by co-substrate-mediated covalent capture. Nat.Chem., 12, 2020
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5LCB
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![BU of 5lcb by Molmil](/molmil-images/mine/5lcb) | In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy | Descriptor: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein | Authors: | Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C. | Deposit date: | 2016-06-20 | Release date: | 2016-07-27 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR | Cite: | In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum. Nat Commun, 7, 2016
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6F7U
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![BU of 6f7u by Molmil](/molmil-images/mine/6f7u) | Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase | Descriptor: | Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H. | Deposit date: | 2017-12-12 | Release date: | 2018-03-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular mechanism of ATP versus GTP selectivity of adenylate kinase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FFT
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![BU of 6fft by Molmil](/molmil-images/mine/6fft) | Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2018-01-09 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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4X3F
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![BU of 4x3f by Molmil](/molmil-images/mine/4x3f) | |