1FKP
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![BU of 1fkp by Molmil](/molmil-images/mine/1fkp) | CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE 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 RT, A-CHAIN, ... | 著者 | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | 登録日 | 2000-08-10 | 公開日 | 2000-11-03 | 最終更新日 | 2018-03-14 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase. Structure Fold.Des., 8, 2000
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7B76
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![BU of 7b76 by Molmil](/molmil-images/mine/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 | 2023-03-01 | 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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7KDT
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7AD5
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![BU of 7ad5 by Molmil](/molmil-images/mine/7ad5) | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | 分子名称: | ACETATE ION, Avirulence protein LmJ1, GLYCEROL, ... | 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 | 2020-09-14 | 公開日 | 2021-10-06 | 最終更新日 | 2022-07-27 | 実験手法 | X-RAY DIFFRACTION (2.14 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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1RT1
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![BU of 1rt1 by Molmil](/molmil-images/mine/1rt1) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442 | 分子名称: | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | 登録日 | 1996-03-16 | 公開日 | 1997-04-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
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1RT2
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![BU of 1rt2 by Molmil](/molmil-images/mine/1rt2) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651 | 分子名称: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | 著者 | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | 登録日 | 1996-03-16 | 公開日 | 1997-04-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J.Med.Chem., 39, 1996
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6KEU
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![BU of 6keu by Molmil](/molmil-images/mine/6keu) | Wildtype E53, a microbial HSL esterase | 分子名称: | (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Yang, X.C, Li, Z.Y, Xu, X.W, Li, J.X. | 登録日 | 2019-07-05 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Wildtype E53, a microbial HSL esterase To Be Published
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6KF1
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![BU of 6kf1 by Molmil](/molmil-images/mine/6kf1) | Microbial Hormone-sensitive lipase- E53 mutant S162A | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEXANOIC ACID, ... | 著者 | Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L. | 登録日 | 2019-07-05 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | 主引用文献 | Functional and Structural Insights into Environmental Adaptation of a Novel Hormone-sensitive Lipase, E53, Obtained from Erythrobacter longus To Be Published
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7A78
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![BU of 7a78 by Molmil](/molmil-images/mine/7a78) | Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-08-27 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
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6VCG
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![BU of 6vcg by Molmil](/molmil-images/mine/6vcg) | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form | 分子名称: | CHLORIDE ION, COBALT (II) ION, SODIUM ION, ... | 著者 | Daruwalla, A, Shi, W, Kiser, P.D. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UVK
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![BU of 6uvk by Molmil](/molmil-images/mine/6uvk) | OXA-48 bound by inhibitor CDD-97 | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | 登録日 | 2019-11-02 | 公開日 | 2020-05-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries. Acs Infect Dis., 6, 2020
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6USZ
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![BU of 6usz by Molmil](/molmil-images/mine/6usz) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Vigers, G.P, Smith, D.J. | 登録日 | 2019-10-28 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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7JM5
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![BU of 7jm5 by Molmil](/molmil-images/mine/7jm5) | Crystal structure of KDM4B in complex with 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 4B, NICKEL (II) ION, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2020-07-31 | 公開日 | 2022-02-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma. Sci Transl Med, 14, 2022
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7B3A
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![BU of 7b3a by Molmil](/molmil-images/mine/7b3a) | Crystal structure of PamZ | 分子名称: | ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ... | 著者 | Loll, B, Dang, T, Mainz, A, Suessmuth, R, Wahl, M.C. | 登録日 | 2020-11-30 | 公開日 | 2021-11-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Molecular basis of antibiotic self-resistance in a bee larvae pathogen. Nat Commun, 13, 2022
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6USX
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![BU of 6usx by Molmil](/molmil-images/mine/6usx) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | 分子名称: | 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Vigers, G.P, Smith, D.J. | 登録日 | 2019-10-28 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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6UT0
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![BU of 6ut0 by Molmil](/molmil-images/mine/6ut0) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Vigers, G.P, Smith, D.J. | 登録日 | 2019-10-29 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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6VCH
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![BU of 6vch by Molmil](/molmil-images/mine/6vch) | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal | 分子名称: | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, CHLORIDE ION, COBALT (II) ION, ... | 著者 | Daruwalla, A, Shi, W, Kiser, P.D. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VCF
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![BU of 6vcf by Molmil](/molmil-images/mine/6vcf) | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form | 分子名称: | BICARBONATE ION, CHLORIDE ION, FE (II) ION, ... | 著者 | Daruwalla, A, Shi, W, Kiser, P.D. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.687 Å) | 主引用文献 | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase. Proc.Natl.Acad.Sci.USA, 117, 2020
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3BI0
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7UKS
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![BU of 7uks by Molmil](/molmil-images/mine/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
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![BU of 7ukr by Molmil](/molmil-images/mine/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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7Q6C
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![BU of 7q6c by Molmil](/molmil-images/mine/7q6c) | complement C6 FIM1-2 bound to CP010 antibody | 分子名称: | ACETATE ION, CP010 heavy chain, CP010 light chain, ... | 著者 | Olesen, H.G, Andersen, G.R. | 登録日 | 2021-11-06 | 公開日 | 2022-05-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.29274 Å) | 主引用文献 | Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex. J Innate Immun, 2022
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3IXK
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![BU of 3ixk by Molmil](/molmil-images/mine/3ixk) | Potent beta-secretase 1 inhibitor | 分子名称: | Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-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 | Borkakoti, N, Lindberg, J.D, Nystrom, S. | 登録日 | 2009-09-04 | 公開日 | 2010-09-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core. Eur.J.Med.Chem., 45, 2010
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3BI1
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3BHX
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![BU of 3bhx by Molmil](/molmil-images/mine/3bhx) | |