8GHE
 
 | | The structure of h12-LOX in tetrameric form bound to endogenous inhibitor oleoyl-CoA | | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.05 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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8GHB
 | | The structure of h12-LOX in monomeric form | | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12 | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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6U25
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | | 分子名称: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | | 著者 | Sack, J. | | 登録日 | 2019-08-19 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
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6MV5
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5JCX
 | | Trypanosoma brucei PTR1 in complex with inhibitor NP-29 | | 分子名称: | 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | | 登録日 | 2016-04-15 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
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5JDI
 | | Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2) | | 分子名称: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | | 登録日 | 2016-04-16 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
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5JDC
 | | Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin) | | 分子名称: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | | 著者 | Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L. | | 登録日 | 2016-04-16 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
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6U3I
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5JCJ
 | | Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7) | | 分子名称: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | | 登録日 | 2016-04-15 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
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6U2F
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6ENA
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1FKA
 | | STRUCTURE OF FUNCTIONALLY ACTIVATED SMALL RIBOSOMAL SUBUNIT AT 3.3 A RESOLUTION | | 分子名称: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | 著者 | Schluenzen, F, Tocilj, A, Zarivach, R, Harms, J, Gluehmann, M, Janell, D, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A. | | 登録日 | 2000-08-09 | | 公開日 | 2000-09-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure of functionally activated small ribosomal subunit at 3.3 angstroms resolution.
Cell(Cambridge,Mass.), 102, 2000
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5JRS
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5VLK
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5VLA
 | | Short PCSK9 delta-P' complex with Fusion2 peptide | | 分子名称: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2017-04-25 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5VLP
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5VLH
 | | Short PCSK9 delta-P' complex with peptide Pep1 | | 分子名称: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ... | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2017-04-25 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5VLL
 | | Short PCSK9 delta-P' complex with peptide Pep3 | | 分子名称: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ... | | 著者 | Eigenbrot, C, Ultsch, M. | | 登録日 | 2017-04-25 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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7O7F
 | | Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist | | 分子名称: | C-C chemokine receptor type 5, C-C motif chemokine 5, Fab antibody fragment heavy chain, ... | | 著者 | Isaikina, P, Tsai, C.-J, Dietz, N.B, Pamula, F, Goldie, K.N, Schertler, G.F.X, Maier, T, Stahlberg, H, Deupi, X, Grzesiek, S. | | 登録日 | 2021-04-13 | | 公開日 | 2021-06-30 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist.
Sci Adv, 7, 2021
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5D6C
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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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5VL7
 | | PCSK9 complex with Fab33 | | 分子名称: | Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Eigenbrot, C, Shia, S. | | 登録日 | 2017-04-25 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5V0Y
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6O8I
 | | BTK In Complex With Inhibitor | | 分子名称: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Pokross, M, Tebben, A.J, Watterson, S.H. | | 登録日 | 2019-03-11 | | 公開日 | 2019-04-03 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
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7KQJ
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH A NOVEL TRICYCLIC-CARBOCYLIC RORGT INVERSE AGONIST | | 分子名称: | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide, Nuclear receptor ROR-gamma | | 著者 | Sack, J.S. | | 登録日 | 2020-11-16 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.645 Å) | | 主引用文献 | Tricyclic-Carbocyclic ROR gamma t Inverse Agonists-Discovery of BMS-986313.
J.Med.Chem., 64, 2021
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