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7NKV
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PaaR2 regulator N-terminal domain
分子名称: Phage repressor protein CI
著者Prolic-Kalinsek, M, Loris, R, Volkov, A.N.
登録日2021-02-19
公開日2022-03-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Regulation of the Escherichia coli paaR2-paaA2-ParD2 toxin-antitoxin system
To Be Published
5JKI
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BU of 5jki by Molmil
Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ...
著者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.
登録日2016-04-26
公開日2017-02-22
最終更新日2017-05-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis.
Cell. Mol. Life Sci., 74, 2017
6EUT
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67)
分子名称: (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, ...
著者Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXM
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202)
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUZ
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37)
分子名称: (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, ...
著者Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXL
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif
分子名称: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUU
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29)
分子名称: (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, ...
著者Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EV0
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The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129)
分子名称: 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, ...
著者Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-10-31
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXK
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BU of 6exk by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif
分子名称: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ...
著者Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2017-11-08
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
7OYJ
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BU of 7oyj by Molmil
Crystal structure of hTEAD2 in complex with fragment at the interface 2
分子名称: 3-(1~{H}-pyrazol-5-yl)aniline, PALMITIC ACID, Transcriptional enhancer factor TEF-4
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2021-06-24
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Toward the Design of Ligands Selective for the C-Terminal Domain of TEADs.
J.Med.Chem., 65, 2022
6YKD
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BU of 6ykd by Molmil
Human Pim-1 kinase in complex with an inhibitor identified by virtual screening
分子名称: ACETATE ION, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
著者Schneider, P, Welin, M, Svensson, B, Walse, B, Schneider, G.
登録日2020-04-06
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors.
Mol Inform, 39, 2020
6Y3H
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BU of 6y3h by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0401
分子名称: Major allergen Cor a 1.0401
著者Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
登録日2020-02-18
公開日2021-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
6Y3L
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BU of 6y3l by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0404
分子名称: Major allergen variant Cor a 1.0404
著者Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
登録日2020-02-18
公開日2021-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
6Y3I
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BU of 6y3i by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0402
分子名称: Major allergen variant Cor a 1.0402
著者Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
登録日2020-02-18
公開日2021-02-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
6Y3K
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BU of 6y3k by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0403
分子名称: Major allergen variant Cor a 1.0403
著者Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
登録日2020-02-18
公開日2021-02-17
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
6G5G
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BU of 6g5g by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者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.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5K
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BU of 6g5k by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1
分子名称: Botulinum neurotoxin type B, Synaptotagmin-1
著者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.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6GP2
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BU of 6gp2 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, DOPA-active form
分子名称: CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain
著者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.
登録日2018-06-05
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens.
Nature, 563, 2018
6G5F
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BU of 6g5f by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1
分子名称: Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ...
著者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.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6GP3
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BU of 6gp3 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, inactive form
分子名称: CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain
著者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.
登録日2018-06-05
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens.
Nature, 563, 2018
6SIU
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BU of 6siu by Molmil
Crystal structure of IbpAFic2 covalently tethered to Cdc42
分子名称: Cell division control protein 42 homolog, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Gulen, B, Roselin, M, Albers, M, Hedberg, C, Itzen, A, Pogenberg, V.
登録日2019-08-12
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Identification of targets of AMPylating Fic enzymes by co-substrate-mediated covalent capture.
Nat.Chem., 12, 2020
5LCB
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BU of 5lcb by Molmil
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
分子名称: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein
著者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.
登録日2016-06-20
公開日2016-07-27
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR
主引用文献In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum.
Nat Commun, 7, 2016
6F7U
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BU of 6f7u by Molmil
Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase
分子名称: Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular mechanism of ATP versus GTP selectivity of adenylate kinase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FFT
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BU of 6fft by Molmil
Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue)
分子名称: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
著者Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
登録日2018-01-09
公開日2019-01-02
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
4X3F
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BU of 4x3f by Molmil
Crystal structure of the intracellular domain of the M. tuberculosis Ser/Thr kinase PknA
分子名称: Serine/threonine-protein kinase PknA
著者Wagner, T, Wehenkel, A, Alzari, P.M, Bellinzoni, M.
登録日2014-11-28
公開日2015-01-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structure of the catalytic domain of the ser/thr kinase PknA from M. tuberculosis shows an Src-like autoinhibited conformation.
Proteins, 83, 2015

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