5UIT
| Crystal structure of IRAK4 in complex with compound 14 | 分子名称: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | 著者 | Han, S, Chang, J.S. | 登録日 | 2017-01-14 | 公開日 | 2017-05-24 | 最終更新日 | 2017-07-26 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5UQX
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5UUL
| Human Bfl-1 in complex with PUMA BH3 | 分子名称: | Bcl-2-binding component 3, Bcl-2-related protein A1, SULFATE ION | 著者 | Jenson, J.M, Grant, R.A, Keating, A.E. | 登録日 | 2017-02-17 | 公開日 | 2017-06-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1. Elife, 6, 2017
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5UKQ
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5V5K
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5V86
| Structure of DCN1 bound to NAcM-OPT | 分子名称: | Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | 登録日 | 2017-03-21 | 公開日 | 2017-05-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | 主引用文献 | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase. Nat. Chem. Biol., 13, 2017
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5UP8
| Crystal Structure of the Zn-bound Human Heavy-Chain variant 122H-delta C-star with para-benzenedihydroxamate | 分子名称: | Ferritin heavy chain, N,N'-dihydroxybenzene-1,4-dicarboxamide, SODIUM ION, ... | 著者 | Bailey, J.B, Zhang, L, Chiong, J.C, Ahn, S, Tezcan, F.A. | 登録日 | 2017-02-01 | 公開日 | 2017-06-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | 主引用文献 | Synthetic Modularity of Protein-Metal-Organic Frameworks. J. Am. Chem. Soc., 139, 2017
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5UIR
| Crystal structure of IRAK4 in complex with compound 11 | 分子名称: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | 著者 | Han, S, Chang, J.S. | 登録日 | 2017-01-14 | 公開日 | 2017-05-24 | 最終更新日 | 2017-07-26 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5UT4
| JAK2 JH2 in complex with NVP-BSK805 | 分子名称: | 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Puleo, D.E, Schlessinger, J. | 登録日 | 2017-02-14 | 公開日 | 2017-06-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules. ACS Med Chem Lett, 8, 2017
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5UUK
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5VQW
| Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Kudalkar, S.N, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UJ5
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5UKR
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5UTZ
| Human IL-2/Fab complex | 分子名称: | Fab 5111 heavy chain, Fab 5111 light chain, GLYCEROL, ... | 著者 | Jude, K.M, Garcia, K.C. | 登録日 | 2017-02-15 | 公開日 | 2018-07-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.747 Å) | 主引用文献 | A human anti-IL-2 antibody that potentiates regulatory T cells by a structure-based mechanism. Nat. Med., 24, 2018
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5V39
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5VGI
| Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | 分子名称: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | 著者 | Hosfield, D.J. | 登録日 | 2017-04-11 | 公開日 | 2017-09-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, 8, 2017
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5VQR
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VQZ
| Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Buckingham, A.B, Chan, A.H, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VRC
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5VYJ
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5VLR
| CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | 分子名称: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Sack, J.S. | 登録日 | 2017-04-26 | 公開日 | 2017-06-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
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5UIU
| Crystal structure of IRAK4 in complex with compound 30 | 分子名称: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | 著者 | Han, S, Chang, J.S. | 登録日 | 2017-01-14 | 公開日 | 2017-05-24 | 最終更新日 | 2017-07-26 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5UQV
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5UT6
| JAK2 JH2 in complex with a diaminopyrimidine | 分子名称: | 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Puleo, D.E, Schlessinger, J. | 登録日 | 2017-02-14 | 公開日 | 2017-06-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | 主引用文献 | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules. ACS Med Chem Lett, 8, 2017
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5V3D
| Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae with bound fosfomycin | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FOSFOMYCIN, ... | 著者 | Klontz, E, Guenther, S, Silverstein, Z, Sundberg, E. | 登録日 | 2017-03-07 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.539 Å) | 主引用文献 | Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli. Antimicrob. Agents Chemother., 61, 2017
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