5OVI
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![BU of 5ovi by Molmil](/molmil-images/mine/5ovi) | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor BAY-293 (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine, Son of sevenless homolog 1 | Authors: | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | Deposit date: | 2017-08-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7DUQ
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![BU of 7duq by Molmil](/molmil-images/mine/7duq) | Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-01-11 | Release date: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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5FPO
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![BU of 5fpo by Molmil](/molmil-images/mine/5fpo) | Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. | Descriptor: | 1H-indazol-7-amine, DNA LIGASE | Authors: | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | Deposit date: | 2015-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5RL5
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![BU of 5rl5 by Molmil](/molmil-images/mine/5rl5) | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-30 (Mpro-x3359) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-08-05 | Release date: | 2020-12-02 | Last modified: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors To Be Published
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7F40
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![BU of 7f40 by Molmil](/molmil-images/mine/7f40) | Lysophospholipid acyltransferase LPCAT3 in a complex with Arachidonoyl-CoA | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, LPCAT3, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | Deposit date: | 2021-06-17 | Release date: | 2021-12-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3. Nat Commun, 12, 2021
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7EWT
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![BU of 7ewt by Molmil](/molmil-images/mine/7ewt) | The crystal structure of Lysophospholipid acyltransferase LPCAT3 (MOBAT5) in its monomeric and apo form | Descriptor: | Lysophospholipid acyltransferase 5 | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2021-05-26 | Release date: | 2021-12-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3. Nat Commun, 12, 2021
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7F8X
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![BU of 7f8x by Molmil](/molmil-images/mine/7f8x) | Crystal structure of the cholecystokinin receptor CCKAR in complex with NN9056 | Descriptor: | ASP-SMF-NLE-GLY-TRP-NLE-OEM-MEA-NH2 (NN9056), Cholecystokinin receptor type A,Endolysin | Authors: | Zhang, X, He, C, Wang, M, Zhou, Q, Yang, D, Zhu, Y, Wu, B, Zhao, Q. | Deposit date: | 2021-07-02 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the human cholecystokinin receptors bound to agonists and antagonists. Nat.Chem.Biol., 17, 2021
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7F6H
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![BU of 7f6h by Molmil](/molmil-images/mine/7f6h) | Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and bradykinin | Descriptor: | Bradykinin, Bradykinin receptor BK2R, CHOLESTEROL, ... | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | Deposit date: | 2021-06-25 | Release date: | 2022-01-05 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes. Nat Commun, 13, 2022
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7F6I
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![BU of 7f6i by Molmil](/molmil-images/mine/7f6i) | Cryo-EM structure of human bradykinin receptor BK2R in complex Gq proteins and kallidin | Descriptor: | Bradykinin receptor BK2R, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, J, Zhang, D, Fu, Y, Chen, A, Zhang, H. | Deposit date: | 2021-06-25 | Release date: | 2022-01-05 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of human bradykinin receptor-G q proteins complexes. Nat Commun, 13, 2022
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7ER9
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![BU of 7er9 by Molmil](/molmil-images/mine/7er9) | Crystal structure of human Biliverdin IX-beta reductase B with Febuxostat (TEI) | Descriptor: | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ERE
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![BU of 7ere by Molmil](/molmil-images/mine/7ere) | Crystal structure of human Biliverdin IX-beta reductase B with Pyrantel Pamoate (PPA) | Descriptor: | 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ER6
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![BU of 7er6 by Molmil](/molmil-images/mine/7er6) | Crystal structure of human Biliverdin IX-beta reductase B | Descriptor: | Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ERC
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![BU of 7erc by Molmil](/molmil-images/mine/7erc) | Crystal structure of human Biliverdin IX-beta reductase B with Deferasirox (ICL) | Descriptor: | 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ER7
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![BU of 7er7 by Molmil](/molmil-images/mine/7er7) | Crystal structure of hyman Biliverdin IX-beta reductase B with Tamibarotene (A80) | Descriptor: | 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ERD
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![BU of 7erd by Molmil](/molmil-images/mine/7erd) | Crystal structure of human Biliverdin IX-beta reductase B with Flunixin Meglumin (FMG) | Descriptor: | 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ER8
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![BU of 7er8 by Molmil](/molmil-images/mine/7er8) | Crystal structure of human Biliverdin IX-beta reductase B with Sulfasalazine (SAS) | Descriptor: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ERB
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![BU of 7erb by Molmil](/molmil-images/mine/7erb) | Crystal structure of human Biliverdin IX-beta reductase B with Ataluren (PTC) | Descriptor: | 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7ERA
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![BU of 7era by Molmil](/molmil-images/mine/7era) | Crystal structure of human Biliverdin IX-beta reductase B with Olsalazine Sodium (OSS) | Descriptor: | 5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H. | Deposit date: | 2021-05-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target. J.Med.Chem., 65, 2022
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7F4G
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![BU of 7f4g by Molmil](/molmil-images/mine/7f4g) | Structure of RPAP2-bound RNA polymerase II | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Chen, X, Qi, Y, Wang, X, Li, J, Zhao, D, Xu, Y. | Deposit date: | 2021-06-18 | Release date: | 2021-07-07 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | RPAP2 regulates a transcription initiation checkpoint by inhibiting assembly of pre-initiation complex. Cell Rep, 39, 2022
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7EP8
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![BU of 7ep8 by Molmil](/molmil-images/mine/7ep8) | |
7EVM
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![BU of 7evm by Molmil](/molmil-images/mine/7evm) | Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2021-05-21 | Release date: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor. Nat Commun, 12, 2021
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7F16
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![BU of 7f16 by Molmil](/molmil-images/mine/7f16) | Cryo-EM structure of parathyroid hormone receptor type 2 in complex with a tuberoinfundibular peptide of 39 residues and G protein | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Wang, X, Cheng, X, Zhao, L.H, Wang, Y, Ye, C, Zou, X, Dai, A, Cong, Z, Chen, J, Zhou, Q, Xia, T, Jiang, H, Xu, H.E, Yang, D, Wang, M.W. | Deposit date: | 2021-06-08 | Release date: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular insights into differentiated ligand recognition of the human parathyroid hormone receptor 2. Proc.Natl.Acad.Sci.USA, 118, 2021
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7FIF
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![BU of 7fif by Molmil](/molmil-images/mine/7fif) | Cryo-EM structure of the hedgehog release protein Disp from water bear (Hypsibius dujardini) | Descriptor: | Protein dispatched-like protein 1 | Authors: | Luo, Y, Wan, G, Wang, Q, Zhao, Y, Cong, Y, Li, D. | Deposit date: | 2021-07-31 | Release date: | 2021-09-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Architecture of Dispatched, a Transmembrane Protein Responsible for Hedgehog Release. Front Mol Biosci, 8, 2021
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7F4H
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![BU of 7f4h by Molmil](/molmil-images/mine/7f4h) | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein, Nb35 and scFv16 | Descriptor: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7F4D
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![BU of 7f4d by Molmil](/molmil-images/mine/7f4d) | Cryo-EM structure of alpha-MSH-bound melanocortin-1 receptor in complex with Gs protein and Nb35 | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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