8D28
 
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8D2A
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8D5L
 | | Crystal structure of theophylline aptamer in complex with TAL1 | | 分子名称: | 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Menichelli, E, Spraggon, G. | | 登録日 | 2022-06-05 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8D29
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6VAP
 | | Structure of the type II thioesterase BorB from the borrelidin biosynthetic cluster | | 分子名称: | Thioesterase | | 著者 | Pereira, J.H, Curran, S.C, Baluyot, M.-J, Lake, J, Putz, H, Rosenburg, D, Keasling, J, Adams, P.D. | | 登録日 | 2019-12-17 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structure and Function of BorB, the Type II Thioesterase from the Borrelidin Biosynthetic Gene Cluster.
Biochemistry, 59, 2020
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8DK7
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4Z2Z
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7R6Z
 | | OXA-48 bound by Compound 3.3 | | 分子名称: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | | 登録日 | 2021-06-24 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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5MWQ
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7UKS
 | | Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15) | | 分子名称: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1 | | 著者 | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | | 登録日 | 2022-04-01 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7UKR
 | | Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction | | 分子名称: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1 | | 著者 | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | | 登録日 | 2022-04-01 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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6GXE
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14 | | 分子名称: | 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Brynda, J, Rezacova, P, Pospisilova, K. | | 登録日 | 2018-06-27 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 2019
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6GXB
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7B76
 | | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | | 分子名称: | Avirulence protein LmJ1, IODIDE ION | | 著者 | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | | 登録日 | 2020-12-09 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
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5KU8
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3I25
 | | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | | 分子名称: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | 著者 | Lindberg, J.D, Borkakoti, N, Nystrom, S. | | 登録日 | 2009-06-29 | | 公開日 | 2010-06-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core
Bioorg.Med.Chem., 18, 2010
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1JKH
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | 分子名称: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | 著者 | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | 登録日 | 2001-07-12 | | 公開日 | 2001-10-03 | | 最終更新日 | 2022-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1JLG
 | | CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | | 分子名称: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | | 著者 | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | 登録日 | 2001-07-16 | | 公開日 | 2001-10-03 | | 最終更新日 | 2022-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1AFR
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3I8W
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1KW5
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | 著者 | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | | 登録日 | 2002-01-28 | | 公開日 | 2003-06-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
BIOPHYS.CHEM., 100, 2003
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1LWE
 | | CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE | | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | 登録日 | 2002-05-31 | | 公開日 | 2002-10-30 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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1KY0
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | 著者 | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | | 登録日 | 2002-02-01 | | 公開日 | 2003-06-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
BIOPHYS.CHEM., 100, 2003
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1KY1
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | 著者 | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | | 登録日 | 2002-02-01 | | 公開日 | 2003-06-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
BIOPHYS.CHEM., 100, 2003
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1L0K
 | | METHIONINE CORE MUTANT OF T4 LYSOZYME | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | 著者 | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | | 登録日 | 2002-02-11 | | 公開日 | 2003-06-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
BIOPHYS.CHEM., 100, 2003
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