2BXN
 
 | | Human serum albumin complexed with myristate and iodipamide | | 分子名称: | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID, MYRISTIC ACID, SERUM ALBUMIN | | 著者 | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | 登録日 | 2005-07-26 | | 公開日 | 2005-09-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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6IVX
 | | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | | 分子名称: | (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | 著者 | Noguchi, M, Nomura, A, Doi, S, Adachi, T. | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
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6I9R
 | | Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin | | 分子名称: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | 著者 | Modelska, A, Aibara, S, Amunts, A. | | 登録日 | 2018-11-25 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth.
Cell Rep, 35, 2021
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8HDD
 | | Complex structure of catalytic, small, and a partial electron transfer subunits from Burkholderia cepacia FAD glucose dehydrogenase | | 分子名称: | FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Glucose dehydrogenase, ... | | 著者 | Yoshida, H, Sode, K. | | 登録日 | 2022-11-04 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Microgravity environment grown crystal structure information based engineering of direct electron transfer type glucose dehydrogenase.
Commun Biol, 5, 2022
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5NIU
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | 分子名称: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | | 著者 | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | | 登録日 | 2017-03-27 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells.
Oncotarget, 8, 2017
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8XEJ
 | | Cryo-EM structure of human XKR8-basigin complex in lipid nanodisc | | 分子名称: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab heavy chain, Fab light chain, ... | | 著者 | Sakuragi, T.S, Kanai, R.K, Kikkawa, M.K, Toyoshima, C.T, Nagata, S.N. | | 登録日 | 2023-12-12 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | | 主引用文献 | The role of the C-terminal tail region as a plug to regulate XKR8 lipid scramblase.
J.Biol.Chem., 300, 2024
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8HHE
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7DV6
 | | Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents | | 分子名称: | 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2 | | 著者 | Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T. | | 登録日 | 2021-01-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents.
Acs Med.Chem.Lett., 12, 2021
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6VER
 | | Human insulin analog: [GluB10,TyrB20]-DOI | | 分子名称: | Insulin A chain, Insulin B chain | | 著者 | Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X. | | 登録日 | 2020-01-02 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.047 Å) | | 主引用文献 | Mini-Ins: A minimal, bioactive insulin analog with alternative binding modes
not published
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6UQD
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6VES
 | | Human insulin analog: [GluB10,HisA8,ArgA9]-DOI | | 分子名称: | Insulin A chain, Insulin B chain | | 著者 | Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X. | | 登録日 | 2020-01-02 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mini-Ins: A Minimal, Bioactive Insulin Analog with Alternative Binding Modes
To Be Published
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8YXB
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8YXA
 | | Crystal structure of the HSA complex with cefazolin and myristate | | 分子名称: | (6~{R},7~{R})-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, MYRISTIC ACID, Serum albumin | | 著者 | Kawai, A. | | 登録日 | 2024-04-02 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Interaction of Cephalosporins with Human Serum Albumin: A Structural Study.
J.Med.Chem., 67, 2024
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8GRJ
 | | Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone | | 分子名称: | D-glucono-1,5-lactone, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Yoshida, H, Kojima, K, Tsugawa, W, Okuda-Shimazaki, J, Kerrigan, J.A, Sode, K. | | 登録日 | 2022-09-01 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Improvement of substrate specificity of the direct electron transfer type FAD-dependent glucose dehydrogenase catalytic subunit.
J.Biotechnol., 2024
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7WKZ
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6S03
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | | 分子名称: | 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2019-06-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
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7D6J
 | | Human serum albumin complexed with benzbromarone | | 分子名称: | Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | 著者 | Kawai, A, Yamasaki, K. | | 登録日 | 2020-09-30 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions.
Mol Pharm., 18, 2021
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6RZX
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | | 分子名称: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2019-06-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
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6LEA
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6RMJ
 | | Crystal structure of human NGR-TNF | | 分子名称: | Tumor necrosis factor | | 著者 | Degano, M, Garau, G. | | 登録日 | 2019-05-07 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Mechanism of Action of the Tumor Vessel Targeting Agent NGR-hTNF: Role of Both NGR Peptide and hTNF in Cell Binding and Signaling.
Int J Mol Sci, 20, 2019
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4FOD
 | | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36 | | 分子名称: | 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL | | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | | 登録日 | 2012-06-20 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
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4FOC
 | | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2 | | 分子名称: | ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate | | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | | 登録日 | 2012-06-20 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
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4FOB
 | | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1 | | 分子名称: | ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide | | 著者 | Whittington, D.A, Epstein, L.F, Chen, H. | | 登録日 | 2012-06-20 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
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5FD2
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5UR6
 | | PYR1 bound to the rationally designed agonist cyanabactin | | 分子名称: | Abscisic acid receptor PYR1, N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide, SULFATE ION | | 著者 | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | | 登録日 | 2017-02-09 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | | 主引用文献 | A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration.
ACS Chem. Biol., 12, 2017
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