8AQN
 
 | | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | | 分子名称: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | | 著者 | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | 登録日 | 2022-08-12 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
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8AQF
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | | 分子名称: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | | 著者 | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | | 登録日 | 2022-08-12 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy
To Be Published
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8AQ9
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8AQ7
 | | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | | 分子名称: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-08-11 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
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8AQ6
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8AQ5
 | | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | | 分子名称: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Ostermann, N. | | 登録日 | 2022-08-11 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.
J.Med.Chem., 65, 2022
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8AQ4
 | | In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with TITC and lyso-PE | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | | 登録日 | 2022-08-11 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
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8AQ3
 | | In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with PE | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | | 登録日 | 2022-08-11 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | | 主引用文献 | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
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8AQ2
 | | In meso structure of the membrane integral lipoprotein N-acyltransferase Lnt from P. aeruginosa covalently linked with TITC | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CITRATE ANION, ... | | 著者 | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | | 登録日 | 2022-08-11 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
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8AQ0
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8APZ
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8APX
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8APQ
 | | CaMct - Mesaconyl-CoA C1:C4 CoA Transferase of Chloroflexus aurantiacus | | 分子名称: | (2E)-2-METHYLBUT-2-ENEDIOIC ACID, 2-methylfumaryl-CoA isomerase, COENZYME A, ... | | 著者 | Pfister, P, Zarzycki, J, Erb, T.J. | | 登録日 | 2022-08-10 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Structural Basis for a Cork-Up Mechanism of the Intra-Molecular Mesaconyl-CoA Transferase.
Biochemistry, 62, 2023
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8APP
 | | AbLys1 endolysin from Acinetobacter baumannii phage AbTZA1 | | 分子名称: | Endolysin, GLYCEROL, PHOSPHATE ION | | 著者 | Premetis, G.E, Stathi, A, Papageorgiou, A.C, Labrou, N.E. | | 登録日 | 2022-08-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Characterization of a glycoside hydrolase endolysin from Acinetobacter baumannii phage AbTZA1 with high antibacterial potency and novel structural features.
Febs J., 290, 2023
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8APO
 | | Structure of the mitochondrial ribosome from Polytomella magna with tRNAs bound to the A and P sites | | 分子名称: | A-site tRNA anticodon loop, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tobiasson, V, Berzina, I, Amunts, A. | | 登録日 | 2022-08-10 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure of a mitochondrial ribosome with fragmented rRNA in complex with membrane-targeting elements.
Nat Commun, 13, 2022
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8APN
 | | Structure of the mitochondrial ribosome from Polytomella magna with tRNA bound to the P site | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Hypothetical protein, MAGNESIUM ION, ... | | 著者 | Tobiasson, V, Berzina, I, Amunts, A. | | 登録日 | 2022-08-10 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-01-18 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of a mitochondrial ribosome with fragmented rRNA in complex with membrane-targeting elements.
Nat Commun, 13, 2022
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8APK
 | | rotational state 3 of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8APJ
 | | rotational state 2d of Trypanosoma brucei mitochondrial ATP synthase | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8API
 | | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-1 ANTITRYPSIN (CHAIN A), ... | | 著者 | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | | 登録日 | 1988-09-08 | | 公開日 | 1990-10-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
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8APH
 | | rotational state 2c of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8APG
 | | rotational state 2b of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8APF
 | | rotational state 2a of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8APE
 | | rotational state 1e of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8APD
 | | rotational state 1d of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8APC
 | | rotational state 1c of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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