6I58
 
 | | Allosteric activation of human prekallikrein by apple domain disc rotation | | 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, CHLORIDE ION, ... | | 著者 | Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J. | | 登録日 | 2018-11-13 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019
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5U3K
 | | Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 662-683 Peptide | | 分子名称: | CALCIUM ION, CHLORIDE ION, DH511.2 Fab Heavy Chain, ... | | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | | 登録日 | 2016-12-02 | | 公開日 | 2017-02-15 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.637 Å) | | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
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5NPQ
 | | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound | | 分子名称: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | | 著者 | Shen, M, Perez-Dorado, I, Fedoryshchak, R, Tate, E.W. | | 登録日 | 2017-04-18 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.372 Å) | | 主引用文献 | Human N-myristoyltransferase 1 (MNT1) with Myristoyl-CoA analogue X10 bound.
To be published
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2XV3
 | | Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAAAHAAAAM), chemically reduced, pH5.3 | | 分子名称: | AZURIN, COPPER (I) ION | | 著者 | Li, C, Sato, K, Monari, S, Salard, I, Sola, M, Banfield, M.J, Dennison, C. | | 登録日 | 2010-10-22 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Metal-Binding Loop Length is a Determinant of the Pka of a Histidine Ligand at a Type 1 Copper Site
Inorg.Chem., 50, 2011
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4LFT
 | | Structure of alpha-elapitoxin-Dpp2d isolated from Black Mamba (Dendroaspis polylepis) venom | | 分子名称: | Alpha-elapitoxin-Dpp2a | | 著者 | Wang, C.I.A, Reeks, T, Lewis, R.J, Alewood, P.F, Durek, T. | | 登録日 | 2013-06-27 | | 公開日 | 2014-06-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Isolation and Structural and Pharmacological Characterization of alpha-Elapitoxin-Dpp2d, an Amidated Three Finger Toxin from Black Mamba Venom.
Biochemistry, 53, 2014
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5JSH
 | | The 3D structure of recombinant [NiFeSe] hydrogenase from Desulfovibrio Vulgaris Hildenborough in the oxidized state at 1.30 Angstrom | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | | 著者 | Marques, M.C, Pereira, I.A.C, Matias, P.M. | | 登録日 | 2016-05-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Nat. Chem. Biol., 13, 2017
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1UKH
 | | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 | | 分子名称: | 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, Mitogen-activated protein kinase 8 isoform 4 | | 著者 | Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. | | 登録日 | 2003-08-23 | | 公開日 | 2004-08-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
Embo J., 23, 2004
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6FF7
 | | human Bact spliceosome core structure | | 分子名称: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, BUD13 homolog, ... | | 著者 | Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H. | | 登録日 | 2018-01-03 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structure and Conformational Dynamics of the Human Spliceosomal BactComplex.
Cell, 172, 2018
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5JT1
 | | The 3D structure of Ni-reconstituted U489C variant of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the oxidized state at 1.35 Angstrom resolution | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, HYDROSULFURIC ACID, ... | | 著者 | Marques, M.C, Pereira, I.A.C, Matias, P.M. | | 登録日 | 2016-05-09 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Nat. Chem. Biol., 13, 2017
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1UKI
 | | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 | | 分子名称: | 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, mitogen-activated protein kinase 8 isoform 4 | | 著者 | Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. | | 登録日 | 2003-08-23 | | 公開日 | 2004-08-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
Embo J., 23, 2004
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2HFE
 | | Rb+ complex of a K channel with an amide to ester substitution in the selectivity filter | | 分子名称: | (2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE, FAB Heavy Chain, FAB Light Chain, ... | | 著者 | Valiyaveetil, F.I, MacKinnon, R, Muir, T.W. | | 登録日 | 2006-06-23 | | 公開日 | 2006-09-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural and Functional Consequences of an Amide-to-Ester Substitution in the Selectivity Filter of a Potassium Channel.
J.Am.Chem.Soc., 128, 2006
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1H9Z
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6UPT
 | | Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 | | 分子名称: | 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION | | 著者 | The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-18 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
to be published
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8AFK
 | | Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin | | 分子名称: | Near-infrared fluorescent protein, PHYCOCYANOBILIN | | 著者 | Remeeva, A, Kovalev, K, Gushchin, I, Fonin, A, Turoverov, K, Stepanenko, O. | | 登録日 | 2022-07-18 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | | 主引用文献 | Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin
To Be Published
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3JC1
 | | Electron cryo-microscopy of the IST1-CHMP1B ESCRT-III copolymer | | 分子名称: | Charged multivesicular body protein 1b, Increased Sodium Tolerance 1 (IST1) | | 著者 | McCullough, J, Clippinger, A.K, Talledge, N, Skowyra, M.L, Saunders, M.G, Naismith, T.V, Colf, L.A, Afonine, P, Arthur, C, Sundquist, W.I, Hanson, P.I, Frost, A. | | 登録日 | 2015-11-09 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structure and membrane remodeling activity of ESCRT-III helical polymers.
Science, 350, 2015
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6EVV
 | | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions. | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Troisi, R, Russo Krauss, I, Sica, F. | | 登録日 | 2017-11-02 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
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1XK4
 | | Crystal structure of human calprotectin(S100A8/S100A9) | | 分子名称: | CALCIUM ION, CHLORIDE ION, CITRATE ANION, ... | | 著者 | Korndoerfer, I.P, Brueckner, F, Skerra, A. | | 登録日 | 2004-09-26 | | 公開日 | 2005-10-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of the human (S100A8/S100A9)2 heterotetramer, calprotectin, illustrates how conformational changes of interacting alpha-helices can determine specific association of two EF-hand proteins
J.Mol.Biol., 370, 2007
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6LX4
 | | X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization | | 分子名称: | 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha | | 著者 | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | 登録日 | 2020-02-10 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6RSM
 | | Solution NMR structure of the peptide 12530 from medicinal leech Hirudo medicinalis in dodecylphosphocholine micelles | | 分子名称: | peptide 12530 | | 著者 | Talyzina, I.A, Nadezhdin, K.D, Grafskaia, E.N, Arseniev, A.S, Lazarev, V.N. | | 登録日 | 2019-05-21 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Medicinal leech antimicrobial peptides lacking toxicity represent a promising alternative strategy to combat antibiotic-resistant pathogens.
Eur.J.Med.Chem., 180, 2019
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1FES
 | | SOLUTION STRUCTURE OF THE APO FORM OF THE YEAST METALLOCHAPERONE, ATX1 | | 分子名称: | ATX1 COPPER CHAPERONE | | 著者 | Arnesano, F, Banci, L, Bertini, I, Huffman, D.L, O'Halloran, T.V. | | 登録日 | 2000-07-22 | | 公開日 | 2001-03-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the Cu(I) and apo forms of the yeast metallochaperone, Atx1.
Biochemistry, 40, 2001
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8TNV
 | | Hemocyanin Functional Unit CCHB-g of Concholepas concholepas | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Munoz, S, Vallejos-Baccelliere, G, Manubens, A, Salazar, M, Nascimento, A.F.Z, Ambrosio, A.L.B, Becker, M.I, Guixe, V, Castro-Fernandez, V. | | 登録日 | 2023-08-02 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural insights into a functional unit from an immunogenic mollusk hemocyanin.
Structure, 32, 2024
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8TQV
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 | | 分子名称: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION | | 著者 | Krieger, I.V, Sacchettini, J.C. | | 登録日 | 2023-08-08 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8ATN
 | | Discovery of IRAK4 Inhibitor 38 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-08-23 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.171 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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6LX6
 | | X-ray structure of human PPARalpha ligand binding domain-palmitic acid co-crystals obtained by delipidation and cross-seeding | | 分子名称: | GLYCEROL, PALMITIC ACID, Peroxisome proliferator-activated receptor alpha | | 著者 | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | | 登録日 | 2020-02-10 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6LXB
 | | X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by soaking | | 分子名称: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha | | 著者 | Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | 登録日 | 2020-02-10 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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