4EHG
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![BU of 4ehg by Molmil](/molmil-images/mine/4ehg) | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | 分子名称: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C. | 登録日 | 2012-04-02 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
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4EHE
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![BU of 4ehe by Molmil](/molmil-images/mine/4ehe) | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | 分子名称: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C. | 登録日 | 2012-04-02 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
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1E3V
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![BU of 1e3v by Molmil](/molmil-images/mine/1e3v) | Crystal structure of ketosteroid isomerase from Psedomonas putida complexed with deoxycholate | 分子名称: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, STEROID DELTA-ISOMERASE | 著者 | Ha, N.-C, Kim, M.-S, Kim, J.-S, Oh, B.-H. | 登録日 | 2000-06-24 | 公開日 | 2001-03-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Detection of Large Pka Perturbations of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes J.Biol.Chem., 275, 2000
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1E3R
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![BU of 1e3r by Molmil](/molmil-images/mine/1e3r) | Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from Pseudomonas putida complexed with androsten-3beta-ol-17-one | 分子名称: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ISOMERASE | 著者 | Ha, N.-C, Kim, M.-S, Hyun, B.-H, Oh, B.-H. | 登録日 | 2000-06-22 | 公開日 | 2001-03-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Detection of Large Pka Perturbations of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes J.Biol.Chem., 275, 2000
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5DGZ
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![BU of 5dgz by Molmil](/molmil-images/mine/5dgz) | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors | 分子名称: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | 登録日 | 2015-08-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5DHJ
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![BU of 5dhj by Molmil](/molmil-images/mine/5dhj) | PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine) | 分子名称: | 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | 著者 | Murray, J.M, Wallweber, H. | 登録日 | 2015-08-31 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.457 Å) | 主引用文献 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5DIA
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![BU of 5dia by Molmil](/molmil-images/mine/5dia) | PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine) | 分子名称: | (1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine, Serine/threonine-protein kinase pim-1 | 著者 | Murray, J.M, Wallweber, H. | 登録日 | 2015-08-31 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.964 Å) | 主引用文献 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5EJJ
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![BU of 5ejj by Molmil](/molmil-images/mine/5ejj) | Crystal structure of UfSP from C.elegans | 分子名称: | Ufm1-specific protease | 著者 | Kim, K, Ha, B, Kim, E.E. | 登録日 | 2015-11-02 | 公開日 | 2017-01-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The MPN domain of Caenorhabditis elegans UfSP modulates both substrate recognition and deufmylation activity Biochem. Biophys. Res. Commun., 476, 2016
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5G2C
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![BU of 5g2c by Molmil](/molmil-images/mine/5g2c) | The crystal structure of light-driven chloride pump ClR (T102D) mutant at pH 4.5. | 分子名称: | CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | 登録日 | 2016-04-07 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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5G54
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![BU of 5g54 by Molmil](/molmil-images/mine/5g54) | The crystal structure of light-driven chloride pump ClR at pH 4.5 | 分子名称: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | 著者 | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | 登録日 | 2016-05-19 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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5G2D
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![BU of 5g2d by Molmil](/molmil-images/mine/5g2d) | The crystal structure of light-driven chloride pump ClR (T102N) mutant at pH 4.5. | 分子名称: | CHLORIDE ION, CHLORIDE PUMP RHODOPSIN, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | 登録日 | 2016-04-07 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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5G2A
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![BU of 5g2a by Molmil](/molmil-images/mine/5g2a) | The crystal structure of light-driven chloride pump ClR at pH 6.0 with Bromide ion. | 分子名称: | BROMIDE ION, CHLORIDE PUMPING RHODOPSIN, RETINAL | 著者 | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | 登録日 | 2016-04-07 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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5G28
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![BU of 5g28 by Molmil](/molmil-images/mine/5g28) | The crystal structure of light-driven chloride pump ClR at pH 6.0. | 分子名称: | CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, OLEIC ACID, ... | 著者 | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | 登録日 | 2016-04-07 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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1DMN
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![BU of 1dmn by Molmil](/molmil-images/mine/1dmn) | CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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1DMM
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![BU of 1dmm by Molmil](/molmil-images/mine/1dmm) | CRYSTAL STRUCTURES OF MUTANT ENZYMES Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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1DMQ
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![BU of 1dmq by Molmil](/molmil-images/mine/1dmq) | CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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4PPZ
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![BU of 4ppz by Molmil](/molmil-images/mine/4ppz) | Crystal structure of zinc-bound succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 | 分子名称: | PHOSPHATE ION, Succinyl-diaminopimelate desuccinylase, ZINC ION | 著者 | Nocek, B, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-02-27 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril. Biochemistry, 54, 2015
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4O23
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![BU of 4o23 by Molmil](/molmil-images/mine/4o23) | Crystal structure of mono-zinc form of succinyl diaminopimelate desuccinylase from Neisseria meningitidis MC58 | 分子名称: | SULFATE ION, Succinyl-diaminopimelate desuccinylase, ZINC ION | 著者 | Nocek, B, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-12-16 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril. Biochemistry, 54, 2015
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4PQA
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![BU of 4pqa by Molmil](/molmil-images/mine/4pqa) | Crystal Structure of succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 in complex with the Inhibitor Captopril | 分子名称: | L-CAPTOPRIL, SULFATE ION, Succinyl-diaminopimelate desuccinylase, ... | 著者 | Nocek, B, Starus, A, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-03-01 | 公開日 | 2014-04-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril. Biochemistry, 54, 2015
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4QMG
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![BU of 4qmg by Molmil](/molmil-images/mine/4qmg) | The Structure of MTDH-SND1 Complex Reveals Novel Cancer-Promoting Interactions | 分子名称: | CESIUM ION, GLYCEROL, Protein LYRIC, ... | 著者 | Guo, F, Stanevich, V, Wan, L, Satyshur, K, Kang, Y, Xing, Y. | 登録日 | 2014-06-16 | 公開日 | 2014-10-08 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Structural Insights into the Tumor-Promoting Function of the MTDH-SND1 Complex. Cell Rep, 8, 2014
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2MPV
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![BU of 2mpv by Molmil](/molmil-images/mine/2mpv) | Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli | 分子名称: | Major fimbrial subunit of aggregative adherence fimbria II AafA | 著者 | Matthews, S.J, Yang, Y, Berry, A.A, Pakharukova, N, Garnett, J.A, Lee, W, Cota, E, Liu, B, Roy, S, Tuittila, M, Marchant, J, Inman, K.G, Ruiz-Perez, F, Mandomando, I, Nataro, J.P, Zavialov, A.V. | 登録日 | 2014-06-04 | 公開日 | 2014-10-29 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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5V6M
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![BU of 5v6m by Molmil](/molmil-images/mine/5v6m) | Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A3 in complex with V3 peptide ConB | 分子名称: | CALCIUM ION, Envelope glycoprotein gp120 V3 peptide of Con B sequence, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A3, ... | 著者 | Pan, R, Kong, X.-P. | 登録日 | 2017-03-17 | 公開日 | 2018-01-17 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120. J. Virol., 2018
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5V6L
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![BU of 5v6l by Molmil](/molmil-images/mine/5v6l) | |
5VFI
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![BU of 5vfi by Molmil](/molmil-images/mine/5vfi) | Bruton's tyrosine kinase (BTK) with GDC-0853 | 分子名称: | 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ... | 著者 | Steinbacher, S, Eigenbrot, C. | 登録日 | 2017-04-07 | 公開日 | 2018-02-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development. J. Med. Chem., 61, 2018
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7WJ5
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![BU of 7wj5 by Molmil](/molmil-images/mine/7wj5) | Cryo-EM structure of human somatostatin receptor 2 complex with its agonist somatostatin delineates the ligand binding specificity | 分子名称: | Gai1 antibody (scfv16), 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, ... | 著者 | Heo, Y.S, Yoon, E.J, Jeon, Y.E, Yun, J.-H, Ishimoto, N, Woo, H, Park, S.Y, Song, J, Lee, W.T. | 登録日 | 2022-01-05 | 公開日 | 2022-07-13 | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | 主引用文献 | Cryo-EM structure of the human somatostatin receptor 2 complex with its agonist somatostatin delineates the ligand-binding specificity. Elife, 11, 2022
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