3MU3
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![BU of 3mu3 by Molmil](/molmil-images/mine/3mu3) | Crystal structure of chicken MD-1 complexed with lipid IVa | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Yoon, S.I, Hong, M, Han, G.W, Wilson, I.A. | Deposit date: | 2010-05-01 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of soluble MD-1 and its interaction with lipid IVa. Proc.Natl.Acad.Sci.USA, 107, 2010
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2KQT
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![BU of 2kqt by Molmil](/molmil-images/mine/2kqt) | Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in DMPC lipid bilayers bound to deuterated amantadine | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, M2 protein | Authors: | Cady, S.D, Schmidt-Rohr, K, Wang, J, Soto, C.S, DeGrado, W.F, Hong, M. | Deposit date: | 2009-11-18 | Release date: | 2010-02-09 | Last modified: | 2024-05-08 | Method: | SOLID-STATE NMR | Cite: | Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers Nature, 463, 2010
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7JK8
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![BU of 7jk8 by Molmil](/molmil-images/mine/7jk8) | EmrE S64V mutant bound to tetra(4-fluorophenyl)phosphonium at pH 5.8 | Descriptor: | Multidrug SMR transporter, tetrakis(4-fluorophenyl)phosphanium | Authors: | Shcherbakov, A.A, Hisao, G, Mandala, V.S, Thomas, N.E, Soltani, M, Salter, E.A, Davis Jr, J.H, Henzler-Wildman, K.A, Hong, M. | Deposit date: | 2020-07-27 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | Structure and dynamics of the drug-bound bacterial transporter EmrE in lipid bilayers. Nat Commun, 12, 2021
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5B6A
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![BU of 5b6a by Molmil](/molmil-images/mine/5b6a) | Structure of Pyridoxal Kinasefrom Pseudomonas Aeruginosa | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Kim, M.I, Hong, M. | Deposit date: | 2016-05-25 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and catalytic mechanism of pyridoxal kinase from Pseudomonas aeruginosa Biochem.Biophys.Res.Commun., 478, 2016
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5H20
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![BU of 5h20 by Molmil](/molmil-images/mine/5h20) | X-ray structure of PadR-like Transcription factor from bacteroid fragilis | Descriptor: | ISOPROPYL ALCOHOL, PHOSPHATE ION, Putative PadR-family transcriptional regulatory protein, ... | Authors: | Lee, C, Hong, M. | Deposit date: | 2016-10-13 | Release date: | 2017-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional analysis of BF2549, a PadR-like transcription factor from Bacteroides fragilis. Biochem. Biophys. Res. Commun., 483, 2017
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3RG1
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![BU of 3rg1 by Molmil](/molmil-images/mine/3rg1) | Crystal structure of the RP105/MD-1 complex | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, CD180 molecule, LY86 protein, ... | Authors: | Yoon, S.I, Hong, M, Wilson, I.A. | Deposit date: | 2011-04-07 | Release date: | 2011-08-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | An unusual dimeric structure and assembly for TLR4 regulator RP105-MD-1. Nat.Struct.Mol.Biol., 18, 2011
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5Z7Q
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![BU of 5z7q by Molmil](/molmil-images/mine/5z7q) | Crystal structure of Bacillus cereus flagellin | Descriptor: | Flagellin | Authors: | Kim, M, Hong, M. | Deposit date: | 2018-01-30 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of Bacillus cereus flagellin and structure-guided fusion-protein designs Sci Rep, 8, 2018
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8G55
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![BU of 8g55 by Molmil](/molmil-images/mine/8g55) | |
8G54
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![BU of 8g54 by Molmil](/molmil-images/mine/8g54) | |
8G58
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![BU of 8g58 by Molmil](/molmil-images/mine/8g58) | |
2MUZ
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![BU of 2muz by Molmil](/molmil-images/mine/2muz) | ssNMR structure of a designed rocker protein | Descriptor: | designed rocker protein | Authors: | Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2015-01-14 | Method: | SOLUTION NMR | Cite: | De novo design of a transmembrane Zn2+-transporting four-helix bundle. Science, 346, 2014
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5X12
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![BU of 5x12 by Molmil](/molmil-images/mine/5x12) | Crystal structure of Bacillus subtilis PadR | Descriptor: | Transcriptional regulator | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | Deposit date: | 2017-01-24 | Release date: | 2017-11-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR Nucleic Acids Res., 45, 2017
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5X13
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![BU of 5x13 by Molmil](/molmil-images/mine/5x13) | Crystal structure of Bacillus subtilis PadR in complex with p-coumaric acid | Descriptor: | 4'-HYDROXYCINNAMIC ACID, GLYCEROL, Transcriptional regulator | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | Deposit date: | 2017-01-24 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR Nucleic Acids Res., 45, 2017
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5XEF
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![BU of 5xef by Molmil](/molmil-images/mine/5xef) | Crystal structure of flagellar chaperone from bacteria | Descriptor: | Flagellar protein fliS | Authors: | Lee, C, Hong, M. | Deposit date: | 2017-04-05 | Release date: | 2018-06-27 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the flagellar chaperone FliS from Bacillus cereus and an invariant proline critical for FliS dimerization and flagellin recognition Biochem. Biophys. Res. Commun., 487, 2017
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5X11
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![BU of 5x11 by Molmil](/molmil-images/mine/5x11) | Crystal structure of Bacillus subtilis PadR in complex with operator DNA | Descriptor: | DNA (28-MER), Transcriptional regulator | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | Deposit date: | 2017-01-24 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR Nucleic Acids Res., 45, 2017
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5X14
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![BU of 5x14 by Molmil](/molmil-images/mine/5x14) | Crystal structure of Bacillus subtilis PadR in complex with ferulic acid | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, GLYCEROL, Transcriptional regulator | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | Deposit date: | 2017-01-24 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR Nucleic Acids Res., 45, 2017
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2HVC
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![BU of 2hvc by Molmil](/molmil-images/mine/2hvc) | The Crystal Structure of Ligand-binding Domain (LBD) of human Androgen Receptor in Complex with a selective modulator LGD2226 | Descriptor: | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE, Androgen receptor | Authors: | Wang, F, Liu, X.-Q, Li, H, Liang, K.-N, Miner, J.N, Hong, M, Kallel, E.A, van Oeveren, A, Zhi, L, Jiang, T. | Deposit date: | 2006-07-28 | Release date: | 2007-07-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the ligand-binding domain (LBD) of human androgen receptor in complex with a selective modulator LGD2226 ACTA CRYSTALLOGR.,SECT.F, 62, 2006
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2KHT
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![BU of 2kht by Molmil](/molmil-images/mine/2kht) | NMR Structure of human alpha defensin HNP-1 | Descriptor: | Neutrophil defensin 1 | Authors: | Zhang, Y, Li, S, Doherty, T.F, Lubkowski, J, Lu, W, Li, J, Barinka, C, Hong, M. | Deposit date: | 2009-04-11 | Release date: | 2010-02-09 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | Resonance assignment and three-dimensional structure determination of a human alpha-defensin, HNP-1, by solid-state NMR. J.Mol.Biol., 397, 2010
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5Y8T
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![BU of 5y8t by Molmil](/molmil-images/mine/5y8t) | Crystal structure of Bacillus subtilis PadR in complex with p-coumaric acid | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Transcriptional regulator | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | Deposit date: | 2017-08-21 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR. Nucleic Acids Res., 45, 2017
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6ABT
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![BU of 6abt by Molmil](/molmil-images/mine/6abt) | Crystal structure of transcription factor from Listeria monocytogenes | Descriptor: | PadR family transcriptional regulator | Authors: | Lee, C, Hong, M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based molecular characterization and regulatory mechanism of the LftR transcription factor from Listeria monocytogenes: Conformational flexibilities and a ligand-induced regulatory mechanism. Plos One, 14, 2019
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6ABQ
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![BU of 6abq by Molmil](/molmil-images/mine/6abq) | Crystal structure of transcription factor from Listeria monocytogenes | Descriptor: | CHLORIDE ION, PadR family transcriptional regulator | Authors: | Lee, C, Hong, M. | Deposit date: | 2018-07-23 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based molecular characterization and regulatory mechanism of the LftR transcription factor from Listeria monocytogenes: Conformational flexibilities and a ligand-induced regulatory mechanism. Plos One, 14, 2019
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1T4J
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![BU of 1t4j by Molmil](/molmil-images/mine/1t4j) | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | Deposit date: | 2004-04-29 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B Nat.Struct.Mol.Biol., 11, 2004
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1T48
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![BU of 1t48 by Molmil](/molmil-images/mine/1t48) | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | Deposit date: | 2004-04-28 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B Nat.Struct.Mol.Biol., 11, 2004
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8A62
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![BU of 8a62 by Molmil](/molmil-images/mine/8a62) | Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 | Descriptor: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-16 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A6H
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![BU of 8a6h by Molmil](/molmil-images/mine/8a6h) | Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 | Descriptor: | 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-17 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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