8AQN
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![BU of 8aqn by Molmil](/molmil-images/mine/8aqn) | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | Descriptor: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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![BU of 8aqf by Molmil](/molmil-images/mine/8aqf) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2022-08-12 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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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![BU of 8aq9 by Molmil](/molmil-images/mine/8aq9) | |
8AQ7
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![BU of 8aq7 by Molmil](/molmil-images/mine/8aq7) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | Descriptor: | 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, ... | Authors: | Ostermann, N. | Deposit date: | 2022-08-11 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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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![BU of 8aq6 by Molmil](/molmil-images/mine/8aq6) | |
8AQ5
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![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | Descriptor: | 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, ... | Authors: | Ostermann, N. | Deposit date: | 2022-08-11 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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![BU of 8aq4 by Molmil](/molmil-images/mine/8aq4) | In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with TITC and lyso-PE | Descriptor: | 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, ... | Authors: | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2022-08-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase. Sci Adv, 9, 2023
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8AQ3
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![BU of 8aq3 by Molmil](/molmil-images/mine/8aq3) | In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with PE | Descriptor: | 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, ... | Authors: | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2022-08-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase. Sci Adv, 9, 2023
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8AQ2
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![BU of 8aq2 by Molmil](/molmil-images/mine/8aq2) | In meso structure of the membrane integral lipoprotein N-acyltransferase Lnt from P. aeruginosa covalently linked with TITC | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CITRATE ANION, ... | Authors: | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2022-08-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 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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![BU of 8aq0 by Molmil](/molmil-images/mine/8aq0) | |
8APZ
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![BU of 8apz by Molmil](/molmil-images/mine/8apz) | |
8APX
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8APQ
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![BU of 8apq by Molmil](/molmil-images/mine/8apq) | CaMct - Mesaconyl-CoA C1:C4 CoA Transferase of Chloroflexus aurantiacus | Descriptor: | (2E)-2-METHYLBUT-2-ENEDIOIC ACID, 2-methylfumaryl-CoA isomerase, COENZYME A, ... | Authors: | Pfister, P, Zarzycki, J, Erb, T.J. | Deposit date: | 2022-08-10 | Release date: | 2023-01-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural Basis for a Cork-Up Mechanism of the Intra-Molecular Mesaconyl-CoA Transferase. Biochemistry, 62, 2023
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8APP
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![BU of 8app by Molmil](/molmil-images/mine/8app) | AbLys1 endolysin from Acinetobacter baumannii phage AbTZA1 | Descriptor: | Endolysin, GLYCEROL, PHOSPHATE ION | Authors: | Premetis, G.E, Stathi, A, Papageorgiou, A.C, Labrou, N.E. | Deposit date: | 2022-08-10 | Release date: | 2022-12-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 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
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![BU of 8apo by Molmil](/molmil-images/mine/8apo) | Structure of the mitochondrial ribosome from Polytomella magna with tRNAs bound to the A and P sites | Descriptor: | A-site tRNA anticodon loop, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tobiasson, V, Berzina, I, Amunts, A. | Deposit date: | 2022-08-10 | Release date: | 2023-06-21 | Last modified: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of a mitochondrial ribosome with fragmented rRNA in complex with membrane-targeting elements. Nat Commun, 13, 2022
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8APN
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![BU of 8apn by Molmil](/molmil-images/mine/8apn) | Structure of the mitochondrial ribosome from Polytomella magna with tRNA bound to the P site | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Hypothetical protein, MAGNESIUM ION, ... | Authors: | Tobiasson, V, Berzina, I, Amunts, A. | Deposit date: | 2022-08-10 | Release date: | 2022-11-16 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of a mitochondrial ribosome with fragmented rRNA in complex with membrane-targeting elements. Nat Commun, 13, 2022
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8APK
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![BU of 8apk by Molmil](/molmil-images/mine/8apk) | rotational state 3 of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APJ
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![BU of 8apj by Molmil](/molmil-images/mine/8apj) | rotational state 2d of Trypanosoma brucei mitochondrial ATP synthase | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8API
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![BU of 8api by Molmil](/molmil-images/mine/8api) | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | Descriptor: | 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), ... | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | Deposit date: | 1988-09-08 | Release date: | 1990-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism. Protein Eng., 2, 1989
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8APH
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![BU of 8aph by Molmil](/molmil-images/mine/8aph) | rotational state 2c of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APG
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![BU of 8apg by Molmil](/molmil-images/mine/8apg) | rotational state 2b of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APF
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![BU of 8apf by Molmil](/molmil-images/mine/8apf) | rotational state 2a of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APE
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![BU of 8ape by Molmil](/molmil-images/mine/8ape) | rotational state 1e of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APD
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![BU of 8apd by Molmil](/molmil-images/mine/8apd) | rotational state 1d of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APC
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![BU of 8apc by Molmil](/molmil-images/mine/8apc) | rotational state 1c of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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