5JVD
 
 | | Tubulin-TUB092 complex | | 分子名称: | (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Canela, M.-D, Noppen, S, Bueno, O, Prota, A.E, Bargsten, K, Saez-Calvo, G, Jimeno, M.-L, Benkheil, M, Ribatti, D, Velazquez, S, Camarasa, M.-J, Diaz, J.F, Steinmetz, M.O, Priego, E.-M, Perez-Perez, M.-J, Liekens, S. | | 登録日 | 2016-05-11 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | | 主引用文献 | Antivascular and antitumor properties of the tubulin-binding chalcone TUB091.
Oncotarget, 8, 2017
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6DRG
 | | NMR solution structure of wild type hFABP1 with GW7647 | | 分子名称: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Fatty acid-binding protein, liver | | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | | 登録日 | 2018-06-11 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
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6DO6
 | | NMR solution structure of wild type apo hFABP1 at 308 K | | 分子名称: | Fatty acid-binding protein, liver | | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | | 登録日 | 2018-06-09 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
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6DO7
 | | NMR solution structure of wild type hFABP1 with GW7647 | | 分子名称: | Fatty acid-binding protein, liver | | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | | 登録日 | 2018-06-09 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
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2MSO
 | | Solution study of cGm9a | | 分子名称: | Conotoxin Gm9.1 | | 著者 | Akcan, M, Clark, R.J, Daly, N.L, Conibear, A.C, de Faoite, A.C, Heghinian, M.C, Adams, D.J, Mari, F, Craik, D.J. | | 登録日 | 2014-08-05 | | 公開日 | 2015-07-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Transforming conotoxins into cyclotides: Backbone cyclization of P-superfamily conotoxins.
Biopolymers, 104, 2015
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2MSQ
 | | Solution study of cBru9a | | 分子名称: | Conotoxin cBru9a | | 著者 | Akcan, M, Clark, R.J, Daly, N.L, Conibear, A.C, de Faoite, A.C, Heghinian, M.C, Adams, D.J, Mari, F, Craik, D.J. | | 登録日 | 2014-08-05 | | 公開日 | 2015-07-22 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Transforming conotoxins into cyclotides: Backbone cyclization of P-superfamily conotoxins.
Biopolymers, 104, 2015
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1CE3
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2BT4
 | | Type II Dehydroquinase inhibitor complex | | 分子名称: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | | 著者 | Toscano, M.D, Stewart, K.A, Coggins, J.R, Lapthorn, A.J, Abell, C. | | 登録日 | 2005-05-26 | | 公開日 | 2006-02-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Rational Design of New Bifunctional Inhibitors of Type II Dehydroquinase.
Org.Biomol.Chem., 3, 2005
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1AUY
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1AV3
 | | POTASSIUM CHANNEL BLOCKER KAPPA CONOTOXIN PVIIA FROM C. PURPURASCENS, NMR, 20 STRUCTURES | | 分子名称: | Kappa-conotoxin PVIIA | | 著者 | Scanlon, M.J, Naranjo, D, Thomas, L, Alewood, P.F, Lewis, R.J, Craik, D.J. | | 登録日 | 1997-09-24 | | 公開日 | 1998-10-14 | | 最終更新日 | 2020-12-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure and proposed binding mechanism of a novel potassium channel toxin kappa-conotoxin PVIIA.
Structure, 5, 1997
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2AWV
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1RPV
 | | HIV-1 REV PROTEIN (RESIDUES 34-50) | | 分子名称: | HIV-1 REV PROTEIN | | 著者 | Scanlon, M.J, Fairlie, D.P, Craik, D.J, Englebretsen, D.R, West, M.L. | | 登録日 | 1995-05-04 | | 公開日 | 1995-10-15 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of the RNA-binding peptide from human immunodeficiency virus (type 1) Rev.
Biochemistry, 34, 1995
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2AH8
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2AHA
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6EO8
 | | Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | | 著者 | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | | 登録日 | 2017-10-09 | | 公開日 | 2017-12-13 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
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8CC3
 | | Vibrio cholerae GbpA (LPMO domain) | | 分子名称: | ACETATE ION, COPPER (II) ION, GlcNAc-binding protein A, ... | | 著者 | Montserrat-Canals, M, Sorensen, H.V, Cordara, G, Krengel, U. | | 登録日 | 2023-01-26 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.128 Å) | | 主引用文献 | Perdeuterated GbpA Enables Neutron Scattering Experiments of a Lytic Polysaccharide Monooxygenase.
Acs Omega, 8, 2023
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8CC5
 | | Vibrio cholerae GbpA (LPMO domain) | | 分子名称: | ACETATE ION, COPPER (II) ION, GlcNAc-binding protein A, ... | | 著者 | Montserrat-Canals, M, Sorensen, H.V, Cordara, G, Krengel, U. | | 登録日 | 2023-01-26 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Perdeuterated GbpA Enables Neutron Scattering Experiments of a Lytic Polysaccharide Monooxygenase.
Acs Omega, 8, 2023
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4WET
 | | Crystal structure of E.Coli DsbA in complex with compound 16 | | 分子名称: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ... | | 著者 | Ilyichova, O.V, Scanlon, M.J. | | 登録日 | 2014-09-11 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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1MR4
 | | Solution Structure of NaD1 from Nicotiana alata | | 分子名称: | Nicotiana alata plant defensin 1 (NaD1) | | 著者 | Lay, F.T, Schirra, H.J, Scanlon, M.J, Anderson, M.A, Craik, D.J. | | 登録日 | 2002-09-18 | | 公開日 | 2003-09-18 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Three-dimensional Solution Structure of NaD1, a New Floral Defensin from Nicotiana alata and its Application to a Homology Model of the Crop Defense Protein alfAFP
J.MOL.BIOL., 325, 2003
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2GD3
 | | NMR structure of S14G-humanin in 30% TFE solution | | 分子名称: | Humanin | | 著者 | Benaki, D, Zikos, C, Evangelou, A, Livaniou, E, Vlassi, M, Mikros, E, Pelecanou, M. | | 登録日 | 2006-03-15 | | 公開日 | 2006-09-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of Ser14Gly-humanin, a potent rescue factor against neuronal cell death in Alzheimer's disease.
Biochem.Biophys.Res.Commun., 349, 2006
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3VQ5
 | | HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE | | 分子名称: | CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-20 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQQ
 | | HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine | | 分子名称: | 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-29 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQE
 | | HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | | 分子名称: | CADMIUM ION, CHLORIDE ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-21 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQ4
 | | Fragments bound to HIV-1 integrase | | 分子名称: | (5-phenyl-1,2-oxazol-3-yl)methanol, CADMIUM ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-20 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQ6
 | | HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | | 分子名称: | (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, CADMIUM ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-20 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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