5LO1
 
 | | HSP90 WITH indazole derivative | | 分子名称: | 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide, Heat shock protein HSP 90-alpha | | 著者 | Graedler, U, Amaral, M, Schuetz, D. | | 登録日 | 2016-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
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4MBC
 | | Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | | 分子名称: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | | 著者 | Ogg, D, Tucker, J. | | 登録日 | 2013-08-19 | | 公開日 | 2013-10-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
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3VSF
 | | Crystal structure of 1,3Gal43A, an exo-beta-1,3-Galactanase from Clostridium thermocellum | | 分子名称: | GLYCEROL, Ricin B lectin | | 著者 | Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C. | | 登録日 | 2012-04-25 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.757 Å) | | 主引用文献 | Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
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5ZYL
 | | Crystal structure of CERT START domain in complex with compound E25A | | 分子名称: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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6J0O
 | | Crystal structure of CERT START domain in complex with compound SC1 | | 分子名称: | 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol, LIPID-TRANSFER PROTEIN CERT, UNKNOWN ATOM OR ION | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-12-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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2J5K
 | | 2.0 A resolution structure of the wild type malate dehydrogenase from Haloarcula marismortui (radiation damage series) | | 分子名称: | CHLORIDE ION, MALATE DEHYDROGENASE | | 著者 | Fioravanti, E, Vellieux, F.M.D, Amara, P, Madern, D, Weik, M. | | 登録日 | 2006-09-18 | | 公開日 | 2006-09-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Specific Radiation Damage to Acidic Residues and its Relation to Their Chemical and Structural Environment.
J.Synchrotron Radiat., 14, 2007
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1PJN
 | | Mouse Importin alpha-bipartite NLS N1N2 from Xenopus laevis phosphoprotein Complex | | 分子名称: | Histone-binding protein N1/N2, Importin alpha-2 subunit | | 著者 | Fontes, M.R.M, Teh, T, Jans, D, Brinkworth, R.I, Kobe, B. | | 登録日 | 2003-06-03 | | 公開日 | 2003-08-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the specificity of bipartite nuclear localization sequence binding by importin-alpha
J.Biol.Chem., 278, 2003
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5AWS
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1PJM
 | | Mouse Importin alpha-bipartite NLS from human retinoblastoma protein Complex | | 分子名称: | Importin alpha-2 subunit, Retinoblastoma-associated protein | | 著者 | Fontes, M.R.M, Teh, T, Jans, D, Brinkworth, R.I, Kobe, B. | | 登録日 | 2003-06-03 | | 公開日 | 2003-08-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the specificity of bipartite nuclear localization sequence binding by importin-alpha
J.Biol.Chem., 278, 2003
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5J1B
 | | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - WT. | | 分子名称: | Cell wall assembly regulator SMI1 | | 著者 | Maveyraud, L, Batista, M, Martin-yken, H, Francois, J.M, Zerbib, D, Mourey, L. | | 登録日 | 2016-03-29 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and biophysical characterization of Knr4, an intrinsically disordered hub protein form Saccharomyces cerevisiae
To Be Published
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6JLH
 | | Structure of SCGN in complex with a Snap25 peptide | | 分子名称: | CALCIUM ION, CHLORIDE ION, Secretagogin, ... | | 著者 | Qin, J, Sun, Q, Jia, D. | | 登録日 | 2019-03-05 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-04-08 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural and mechanistic insights into secretagogin-mediated exocytosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5IU8
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12f at 2.0A resolution | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, ... | | 著者 | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | | 登録日 | 2016-03-17 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
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6A94
 | | Crystal structure of 5-HT2AR in complex with zotepine | | 分子名称: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T. | | 登録日 | 2018-07-11 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
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5AQU
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | 分子名称: | (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | 登録日 | 2015-09-22 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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8QCG
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6A1G
 | | Crystal structure of human DYRK1A in complex with compound 32 | | 分子名称: | 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Baba, D, Hanzawa, H. | | 登録日 | 2018-06-07 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
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8Q77
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BISUBSTRATE INHIBITOR ARC-780 | | 分子名称: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Werner, C, Lindenblatt, D, Niefind, K. | | 登録日 | 2023-08-15 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.255 Å) | | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
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5IUA
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | 著者 | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | | 登録日 | 2016-03-17 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
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5BPL
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5AQO
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | 登録日 | 2015-09-22 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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5AQG
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | 分子名称: | (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | 登録日 | 2015-09-22 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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6JHR
 | | The cryo-EM structure of HAV bound to a neutralizing antibody-F6 | | 分子名称: | FAB Heavy Chain, FAB Light Chain, VP1, ... | | 著者 | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | | 登録日 | 2019-02-18 | | 公開日 | 2020-03-18 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
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3VW7
 | | Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ... | | 著者 | Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K. | | 登録日 | 2012-08-07 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | High-resolution crystal structure of human protease-activated receptor 1
Nature, 492, 2012
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8QOH
 | | Crystal structure of the kinetoplastid kinetochore protein KKT14 C-terminal domain from Apiculatamorpha spiralis | | 分子名称: | kinetochore protein KKT14 | | 著者 | Carter, W, Ballmer, D, Ishii, M, Ludzia, P, Akiyoshi, B. | | 登録日 | 2023-09-28 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Kinetoplastid kinetochore proteins KKT14-KKT15 are divergent Bub1/BubR1-Bub3 proteins.
Open Biology, 14, 2024
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6JMF
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