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5UIR
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BU of 5uir by Molmil
Crystal structure of IRAK4 in complex with compound 11
分子名称: 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Han, S, Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
3WUR
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BU of 3wur by Molmil
Structure of DMP19 Complex with 18-crown-6
分子名称: 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, L(+)-TARTARIC ACID, ...
著者Lee, C.C, Wang, H.C, Wang, A.H.J.
登録日2014-05-02
公開日2014-10-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
3WH0
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BU of 3wh0 by Molmil
Structure of Pin1 Complex with 18-crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Lee, C.C, Liu, C.I, Jeng, W.Y, Wang, A.H.J.
登録日2013-08-20
公開日2014-10-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
4TQD
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BU of 4tqd by Molmil
Crystal Structure of the C-terminal domain of IFRS bound with 3-iodo-L-Phe and ATP
分子名称: 1,2-ETHANEDIOL, 3-iodo-L-phenylalanine, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Nakamura, A, O'Donoghue, P, Soll, D.
登録日2014-06-11
公開日2014-11-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1429 Å)
主引用文献Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TQF
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BU of 4tqf by Molmil
Crystal Structure of the C-terminal domain of IFRS bound with 2-(5-bromothienyl)-L-Ala and ATP
分子名称: 1,2-ETHANEDIOL, 3-(5-bromothiophen-2-yl)-L-alanine, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Nakamura, A, O'Donoghue, P, Soll, D.
登録日2014-06-11
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7143 Å)
主引用文献Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
4KIK
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BU of 4kik by Molmil
Human IkB kinase beta
分子名称: Inhibitor of nuclear factor kappa-B kinase subunit beta, K-252A
著者Liu, S, Mosyak, L.
登録日2013-05-02
公開日2013-06-26
最終更新日2013-08-28
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Crystal Structure of a Human I kappa B Kinase beta Asymmetric Dimer.
J.Biol.Chem., 288, 2013
1F2H
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BU of 1f2h by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE TNFR1 ASSOCIATED PROTEIN, TRADD.
分子名称: TUMOR NECROSIS FACTOR RECEPTOR TYPE 1 ASSOCIATED DEATH DOMAIN PROTEIN
著者Tsao, D, McDonaugh, T, Malakian, K, Xu, G.-Y, Telliez, J.-B, Hsu, H, Lin, L.-L.
登録日2000-05-24
公開日2001-05-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of N-TRADD and characterization of the interaction of N-TRADD and C-TRAF2, a key step in the TNFR1 signaling pathway.
Mol.Cell, 5, 2000
7QGV
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BU of 7qgv by Molmil
Solid-state NMR structure of Teixobactin-Lipid II.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, Lipid II, ...
著者Weingarth, M.H, Shukla, R.
登録日2021-12-10
公開日2022-08-03
最終更新日2023-11-15
実験手法SOLID-STATE NMR
主引用文献Teixobactin kills bacteria by a two-pronged attack on the cell envelope.
Nature, 608, 2022
8AH3
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BU of 8ah3 by Molmil
DG04279 glycoside hydrolase family 172
分子名称: CALCIUM ION, DG02479 GH127
著者Al-Jourani, O, Lowe, E.C, Basle, A.
登録日2022-07-20
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mining the human gut microbiome identifies mycobacterial D-arabinan degrading enzymes
To Be Published
8CUG
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BU of 8cug by Molmil
Synthetic epi-Novo29 (2R,3S), synchrotron structure
分子名称: ACETATE ION, Synthetic epi-Novo29 (2R,3S)
著者Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
登録日2022-05-17
公開日2023-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.131 Å)
主引用文献Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
8CUF
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BU of 8cuf by Molmil
Synthetic epi-Novo29 (2R,3S), X-ray diffractometer structure
分子名称: ACETATE ION, IODIDE ION, Synthetic epi-Novo29 (2R,3S)
著者Kreutzer, A.G, Li, X, Krumberger, M, Nowick, J.S.
登録日2022-05-17
公開日2023-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Synthesis and Stereochemical Determination of the Peptide Antibiotic Novo29.
J.Org.Chem., 88, 2023
6CFD
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BU of 6cfd by Molmil
ADEP4 bound to E. faecium ClpP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
著者Lee, R.E, Griffith, E.C.
登録日2018-02-14
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
8IBO
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BU of 8ibo by Molmil
Crystal structure of Wild-Type Mycobacterium tuberculosis ClpC1 N-terminal domain in complex with Lassomycin
分子名称: ACETATE ION, Lassomycin, Negative regulator of genetic competence ClpC/mecB
著者Jagdev, M.K, Vasudevan, D.
登録日2023-02-10
公開日2023-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of the N-terminal domain of MtClpC1 in complex with the anti-mycobacterial natural peptide Lassomycin.
Int.J.Biol.Macromol., 253, 2023
8IBP
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BU of 8ibp by Molmil
Crystal structure of Mycobacterium tuberculosis R21K ClpC1 N-terminal domain in complex with Lassomycin
分子名称: ACETATE ION, Lassomycin, Negative regulator of genetic competence ClpC/mecB
著者Jagdev, M.K, Vasudevan, D.
登録日2023-02-10
公開日2023-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of the N-terminal domain of MtClpC1 in complex with the anti-mycobacterial natural peptide Lassomycin.
Int.J.Biol.Macromol., 253, 2023
4KSI
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BU of 4ksi by Molmil
Crystal Structure Analysis of the Acidic Leucine Aminopeptidase of Tomato
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者DuPrez, K.T, Scranton, M, Walling, L, Fan, L.
登録日2013-05-17
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of tomato wound-induced leucine aminopeptidase sheds light on substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
4P7U
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BU of 4p7u by Molmil
Extracellular domain of type II Transforming Growth Factor Beta receptor in complex with NDSB-201
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, TGF-beta receptor type-2
著者Wangkanont, K, Forest, K.T.
登録日2014-03-27
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献The non-detergent sulfobetaine-201 acts as a pharmacological chaperone to promote folding and crystallization of the type II TGF-beta receptor extracellular domain.
Protein Expr.Purif., 115, 2015
4Q6G
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BU of 4q6g by Molmil
Crystal Structure of the C-terminal domain of AcKRS-1 bound with N-acetyl-lysine and ADPNP
分子名称: 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Eiler, D.R, Kavran, J, Steitz, T.A.
登録日2014-04-22
公開日2014-11-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
8RKG
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BU of 8rkg by Molmil
Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ...
著者Nishio, S, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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