PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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4RRV	Crystal structure of PDK1 in complex with ATP and PIFtide 分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... 著者 Rettenmaier, T.J, Wells, J.A. 登録日 2014-11-06 公開日 2014-12-17 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.412 Å) 主引用文献 A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1. Proc.Natl.Acad.Sci.USA, 111, 2014
6OPV	HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant in complex with darunavir 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 著者 Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. 登録日 2019-04-25 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
6OPZ	HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant in complex with darunavir 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 著者 Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. 登録日 2019-04-25 公開日 2019-09-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.201 Å) 主引用文献 Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
4RM4	The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G. 登録日 2014-10-18 公開日 2015-02-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.771 Å) 主引用文献 The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis. Mol Biosyst, 11, 2015
4RUI	Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene. 分子名称: Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, Sabinene 著者 Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2014-11-19 公開日 2015-01-28 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison. Mol.Pharmacol., 87, 2015
4RVL	CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile 分子名称: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 著者 Wiesmann, C, Wu, P. 登録日 2014-11-26 公開日 2015-06-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
4RVX	Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL079 分子名称: (4S)-4-amino-N-[(2S,3S)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide, HIV-1 Protease 著者 Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. 登録日 2014-11-28 公開日 2016-05-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.955 Å) 主引用文献 Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1. To be Published
6OMO	Human BMP6 homodimer 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, Bone morphogenetic protein 6, ... 著者 Juo, Z.S, Seeherman, H. 登録日 2019-04-19 公開日 2019-05-08 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix. Sci Transl Med, 11, 2019
4ROL	Deoxyhemoglobin in complex with imidazolylacryloyl derivatives 分子名称: 4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... 著者 Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K. 登録日 2014-10-28 公開日 2015-05-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents. Org.Biomol.Chem., 13, 2015
4RZK	Crystal structure of Sulfolobus solfataricus Hsp20.1 ACD 分子名称: Small heat shock protein hsp20 family 著者 Liang, L, Yun, C.H. 登録日 2014-12-22 公開日 2015-12-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.677 Å) 主引用文献 Crystal structure and function of an unusual dimeric Hsp20.1 provide insight into the thermal protection mechanism of small heat shock proteins. Biochem.Biophys.Res.Commun., 2015
4S1G	Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin 著者 Orth, P. 登録日 2015-01-13 公開日 2015-02-25 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4S18	The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and oxaliplatin 分子名称: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Ribonuclease pancreatic 著者 Merlino, A. 登録日 2015-01-09 公開日 2015-11-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Interactions of carboplatin and oxaliplatin with proteins: Insights from X-ray structures and mass spectrometry studies of their ribonuclease A adducts. J.Inorg.Biochem., 153, 2015
6OGS	X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-001 分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. 登録日 2019-04-03 公開日 2020-04-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
4TKH	The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid 分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... 著者 Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. 登録日 2014-05-26 公開日 2015-01-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
4TKJ	The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitic acid 分子名称: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ... 著者 Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. 登録日 2014-05-26 公開日 2015-01-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (0.87 Å) 主引用文献 Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
4TLJ	Ultra-high resolution crystal structure of caprine Beta-lactoglobulin 分子名称: 1,4-BUTANEDIOL, Beta-lactoglobulin 著者 Crowther, J.M, Jameson, G.B, Suzuki, H, Dobson, R.C.J. 登録日 2014-05-30 公開日 2014-06-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Ultra-high resolution crystal structure of recombinant caprine beta-lactoglobulin. Febs Lett., 588, 2014
4TSA	Structure of a lysozyme FAb complex 分子名称: FAb Heavy Chain, FAb Light Chain, Lysozyme C 著者 Wensley, B. 登録日 2014-06-18 公開日 2015-07-08 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structure of a lysozyme FAb complex To Be Published
4TMT	Translation initiation factor eIF5B (517-858) mutant D533A from C. thermophilum, bound to GTPgammaS 分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... 著者 Kuhle, B, Ficner, R. 登録日 2014-06-02 公開日 2014-09-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 A monovalent cation acts as structural and catalytic cofactor in translational GTPases. Embo J., 33, 2014
6OSV	Potent and Selective Antitumor Antibody Targeting a Membrane-Proximal Epitope of ROR2 分子名称: Antibody heavy chain variable region, Antibody light chain variable region, Tyrosine-protein kinase transmembrane receptor ROR2 著者 Park, H, Rader, C. 登録日 2019-05-02 公開日 2020-04-01 最終更新日 2020-05-13 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Affinity maturation, humanization, and co-crystallization of a rabbit anti-human ROR2 monoclonal antibody for therapeutic applications. J.Biol.Chem., 295, 2020
4RO9	2.0A resolution structure of SRPN2 (S358E) from Anopheles gambiae 分子名称: GLYCEROL, Serpin 2 著者 Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. 登録日 2014-10-28 公開日 2014-12-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae. J.Biol.Chem., 290, 2015
6OY1	HIV-1 Protease NL4-3 WT in Complex with LR2-26 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION 著者 Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. 登録日 2019-05-14 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
4ROB	2.8A resolution structure of SRPN2 (K198C) from Anopheles gambiae 分子名称: Serpin 2 著者 Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. 登録日 2014-10-28 公開日 2014-12-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 2.8A resolution structure of SRPN2 (K198C) from Anopheles gambiae To be Published
4RSG	Neutron crystal structure of Ras bound to the GTP analogue GppNHp 分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Knihtila, R.R, Holzapfel, G, Weiss, K.L, Meilleur, F, Mattos, C. 登録日 2014-11-07 公開日 2015-11-04 最終更新日 2024-02-28 実験手法 NEUTRON DIFFRACTION (1.907 Å) 主引用文献 Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP gamma-Phosphate. J.Biol.Chem., 290, 2015
6O5A	Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog p2-NC in P61 分子名称: GLYCEROL, HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide 著者 Wang, Y.-F, Agniswamy, J, Weber, I.T. 登録日 2019-03-01 公開日 2019-06-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega, 4, 2019
4RTZ	Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12 分子名称: GLYCEROL, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ... 著者 Camara-Artigas, A, Bacarizo, J. 登録日 2014-11-16 公開日 2015-10-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (0.979 Å) 主引用文献 Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12 To be Published

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