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3MU3
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BU of 3mu3 by Molmil
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
2KQT
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BU of 2kqt by Molmil
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
7JK8
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BU of 7jk8 by Molmil
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
5B6A
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BU of 5b6a by Molmil
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
5H20
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BU of 5h20 by Molmil
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
3RG1
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BU of 3rg1 by Molmil
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
5Z7Q
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BU of 5z7q by Molmil
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
8G55
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BU of 8g55 by Molmil
Temperature-dependent structures of tau aggregates
Descriptor: Microtubule-associated protein tau
Authors:El Mammeri, N, Duan, P, Dregni, A.J, Hong, M.
Deposit date:2023-02-11
Release date:2023-06-07
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Amyloid fibril structures of tau: Conformational plasticity of the second microtubule-binding repeat.
Sci Adv, 9, 2023
8G54
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BU of 8g54 by Molmil
Temperature-dependent structures of tau aggregates
Descriptor: Microtubule-associated protein tau
Authors:El Mammeri, N, Duan, P, Dregni, A.J, Hong, M.
Deposit date:2023-02-11
Release date:2023-06-07
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Amyloid fibril structures of tau: Conformational plasticity of the second microtubule-binding repeat.
Sci Adv, 9, 2023
8G58
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BU of 8g58 by Molmil
Tau (297-391) in vitro untwisted fibril
Descriptor: Microtubule-associated protein tau
Authors:Duan, P, Dregni, A.J, Mammeri, N.E, Hong, M.
Deposit date:2023-02-12
Release date:2023-11-08
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of the nonhelical filament of the Alzheimer's disease tau core.
Proc.Natl.Acad.Sci.USA, 120, 2023
2MUZ
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BU of 2muz by Molmil
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
5X12
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BU of 5x12 by Molmil
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
5X13
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BU of 5x13 by Molmil
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
5XEF
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BU of 5xef by Molmil
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
5X11
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BU of 5x11 by Molmil
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
5X14
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BU of 5x14 by Molmil
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
2HVC
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BU of 2hvc by Molmil
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
2KHT
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BU of 2kht by Molmil
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
5Y8T
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BU of 5y8t by Molmil
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
6ABT
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BU of 6abt by Molmil
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
6ABQ
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BU of 6abq by Molmil
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
1T4J
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BU of 1t4j by Molmil
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
1T48
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BU of 1t48 by Molmil
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
8A62
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BU of 8a62 by Molmil
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
8A6H
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BU of 8a6h by Molmil
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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数据于2024-07-24公开中

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