8QD7
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![BU of 8qd7 by Molmil](/molmil-images/mine/8qd7) | Wdyg1p from W. dermatitidis catalyzes polyketide shortening in the biosynthesis of DHN-melanin | 分子名称: | Yellowish-green 1-like protein | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | 登録日 | 2023-08-28 | 公開日 | 2024-03-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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4XU1
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7RRX
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![BU of 7rrx by Molmil](/molmil-images/mine/7rrx) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19 | 分子名称: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CHLORIDE ION, Estrogen receptor | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-10 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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4Y0I
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![BU of 4y0i by Molmil](/molmil-images/mine/4y0i) | GABA-aminotransferase inactivated by conformationally-restricted inactivator | 分子名称: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ... | 著者 | Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D. | 登録日 | 2015-02-06 | 公開日 | 2016-02-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.662 Å) | 主引用文献 | GABA-aminotransferase inactivated by conformationally-restricted inactivator To Be Published
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7RS8
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![BU of 7rs8 by Molmil](/molmil-images/mine/7rs8) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16 | 分子名称: | (1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-11 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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5LG1
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![BU of 5lg1 by Molmil](/molmil-images/mine/5lg1) | Room temperature structure of human IgG4-Fc from crystals analysed in situ | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-4 chain C region | 著者 | Davies, A.M, Rispens, T, Ooijevaar-de Heer, P, Aalberse, R.C, Sutton, B.J. | 登録日 | 2016-07-05 | 公開日 | 2016-12-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Room temperature structure of human IgG4-Fc from crystals analysed in situ. Mol. Immunol., 81, 2016
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6VV5
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8QD4
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![BU of 8qd4 by Molmil](/molmil-images/mine/8qd4) | Ayg1p active site converted to tetrahedral sulfonate ester | 分子名称: | Pigment biosynthesis protein yellowish-green 1, phenylmethanesulfonic acid | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | 登録日 | 2023-08-28 | 公開日 | 2024-03-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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7RS7
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![BU of 7rs7 by Molmil](/molmil-images/mine/7rs7) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 | 分子名称: | (1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2021-08-11 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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5HFU
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![BU of 5hfu by Molmil](/molmil-images/mine/5hfu) | Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine | 分子名称: | Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide | 著者 | Campobasso, N, Zhao, B, Smallwood, A. | 登録日 | 2016-01-07 | 公開日 | 2016-03-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.923 Å) | 主引用文献 | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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6WAN
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![BU of 6wan by Molmil](/molmil-images/mine/6wan) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 3'3'3'-cAAA | 分子名称: | Cyclic RNA (R(P*AP*AP*A), SAVED domain-containing protein, SULFATE ION | 著者 | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | 登録日 | 2020-03-25 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
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8QD3
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![BU of 8qd3 by Molmil](/molmil-images/mine/8qd3) | Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | 分子名称: | 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ... | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | 登録日 | 2023-08-28 | 公開日 | 2024-03-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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6PWZ
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8EAZ
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![BU of 8eaz by Molmil](/molmil-images/mine/8eaz) | HOIL-1/E2-Ub/Ub transthiolation complex | 分子名称: | RanBP-type and C3HC4-type zinc finger-containing protein 1, Ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ... | 著者 | Wang, X.S, Cotton, T.R, Lechtenberg, B.C. | 登録日 | 2022-08-30 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | 主引用文献 | The unifying catalytic mechanism of the RING-between-RING E3 ubiquitin ligase family. Nat Commun, 14, 2023
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5JEL
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![BU of 5jel by Molmil](/molmil-images/mine/5jel) | Phosphorylated TRIF in complex with IRF-3 | 分子名称: | Interferon regulatory factor 3, Phosphorylated TRIF peptide | 著者 | Zhao, B, Li, P. | 登録日 | 2016-04-18 | 公開日 | 2016-06-15 | 最終更新日 | 2016-06-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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7ZSD
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![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | 登録日 | 2022-05-06 | 公開日 | 2023-03-01 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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4W1X
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![BU of 4w1x by Molmil](/molmil-images/mine/4w1x) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone | 分子名称: | 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | 著者 | Finzel, B.C, Dai, R. | 登録日 | 2014-08-13 | 公開日 | 2015-02-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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8QD9
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![BU of 8qd9 by Molmil](/molmil-images/mine/8qd9) | Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | 分子名称: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | 登録日 | 2023-08-28 | 公開日 | 2024-03-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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5JJI
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![BU of 5jji by Molmil](/molmil-images/mine/5jji) | Rho transcription termination factor bound to rU7 and 6 ADP-BeF3 molecules | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | 著者 | Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M. | 登録日 | 2016-04-24 | 公開日 | 2016-11-16 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8QDA
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![BU of 8qda by Molmil](/molmil-images/mine/8qda) | Wdyg1p Ser256DHA (PMSF) | 分子名称: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein | 著者 | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | 登録日 | 2023-08-28 | 公開日 | 2024-03-13 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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6NLM
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![BU of 6nlm by Molmil](/molmil-images/mine/6nlm) | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 15) | 分子名称: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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7RMI
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![BU of 7rmi by Molmil](/molmil-images/mine/7rmi) | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | 分子名称: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | 登録日 | 2021-07-27 | 公開日 | 2021-11-03 | 最終更新日 | 2022-01-05 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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7RMG
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![BU of 7rmg by Molmil](/molmil-images/mine/7rmg) | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | 分子名称: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | 登録日 | 2021-07-27 | 公開日 | 2021-11-03 | 最終更新日 | 2022-01-05 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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6NLN
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![BU of 6nln by Molmil](/molmil-images/mine/6nln) | 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | 分子名称: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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7RMH
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![BU of 7rmh by Molmil](/molmil-images/mine/7rmh) | Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | 分子名称: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | 著者 | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | 登録日 | 2021-07-27 | 公開日 | 2021-11-03 | 最終更新日 | 2022-01-05 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
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