7VQG
 
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3TKL
 | | Crystal structure of the GTP-bound Rab1a in complex with the coiled-coil domain of LidA from Legionella pneumophila | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ... | | 著者 | Cheng, W, Yin, K, Lu, D, Li, B, Zhu, D, Chen, Y, Zhang, H, Xu, S, Chai, J, Gu, L. | | 登録日 | 2011-08-27 | | 公開日 | 2012-06-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.183 Å) | | 主引用文献 | Structural insights into a unique Legionella pneumophila effector LidA recognizing both GDP and GTP bound Rab1 in their active state
Plos Pathog., 8, 2012
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3TKZ
 | | Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide | | 分子名称: | PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | | 登録日 | 2011-08-29 | | 公開日 | 2011-10-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
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3SXL
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3SP3
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7VXN
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3SRN
 | | STRUCTURAL CHANGES THAT ACCOMPANY THE REDUCED CATALYTIC EFFICIENCY OF TWO SEMISYNTHETIC RIBONUCLEASE ANALOGS | | 分子名称: | RIBONUCLEASE A, SULFATE ION | | 著者 | deMel, V.S.J, Martin, P.D, Doscher, M.S, Edwards, B.F.P. | | 登録日 | 1991-05-20 | | 公開日 | 1994-12-20 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural changes that accompany the reduced catalytic efficiency of two semisynthetic ribonuclease analogs.
J.Biol.Chem., 267, 1992
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7VW4
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3T7P
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7VXL
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3T7X
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3T11
 | | Dimeric inhibitor of HIV-1 protease. | | 分子名称: | (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Brynda, J, Rezacova, P, Saskova, G.K, Kozisek, M, Konvalinka, J. | | 登録日 | 2011-07-21 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Dimeric inhibitor of HIV-1 protease.
To be Published
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7VM7
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7Y4N
 | | Insight into the C-terminal SH3 domain mediated binding of Drosophila Drk to Sos and Dos | | 分子名称: | Growth factor receptor-bound protein 2 | | 著者 | Pooppadi, M.S, Ikeya, T, Sugasawa, H, Watanabe, R, Mishima, M, Inomata, K, Ito, Y. | | 登録日 | 2022-06-15 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Insight into the C-terminal SH3 domain mediated binding of Drosophila Drk to Sos and Dos.
Biochem.Biophys.Res.Commun., 625, 2022
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3T3C
 | | Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV | | 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, BETA-MERCAPTOETHANOL, HIV-1 protease, ... | | 著者 | Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G. | | 登録日 | 2011-07-25 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease.
Antimicrob.Agents Chemother., 56, 2012
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7YF1
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7XQV
 | | The complex of nanobody Rh57 binding to GTP-bound RhoA active form | | 分子名称: | ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Zhang, Y.R, Liu, R, Ding, Y. | | 登録日 | 2022-05-09 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Structural insights into the binding of nanobody Rh57 to active RhoA-GTP.
Biochem.Biophys.Res.Commun., 616, 2022
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7XSV
 | | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | | 分子名称: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1 | | 著者 | Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H. | | 登録日 | 2022-05-15 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
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3Q6Y
 | | Endothiapepsin in complex with a pyrrolidine based inhibitor | | 分子名称: | (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate), DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2011-01-04 | | 公開日 | 2012-01-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.351 Å) | | 主引用文献 | Endothiapepsin in complex with a pyrrolidine based inhibitor
To be Published
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3QAA
 | | HIV-1 wild type protease with a substituted bis-Tetrahydrofuran inhibitor, GRL-044-10A | | 分子名称: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | 登録日 | 2011-01-10 | | 公開日 | 2011-12-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands.
ACS Med Chem Lett, 2, 2011
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5QIK
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide | | 分子名称: | GLYCEROL, N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2018-08-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | 分子名称: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Suzuki, M, Ubukata, O, Toyoda, A. | | 登録日 | 2022-06-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
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3QN7
 | | Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA) | | 分子名称: | 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator | | 著者 | Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C. | | 登録日 | 2011-02-08 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bicyclic peptide inhibitor reveals large contact interface with a protease target
Acs Chem.Biol., 7, 2012
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7Y6M
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3QOA
 | | Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine. | | 分子名称: | 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | 登録日 | 2011-02-09 | | 公開日 | 2011-09-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
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