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 | Descriptor: | STEROID DELTA-ISOMERASE | Authors: | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | Deposit date: | 1999-12-14 | Release date: | 2000-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 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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1OHU
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![BU of 1ohu by Molmil](/molmil-images/mine/1ohu) | Structure of Caenorhabditis elegans CED-9 | Descriptor: | APOPTOSIS REGULATOR CED-9 | Authors: | Jeong, J.-S, Ha, N.-C, Oh, B.-H. | Deposit date: | 2003-05-31 | Release date: | 2003-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Unique Structural Features of a Bcl-2 Family Protein Ced-9 and Biophysical Characterization of Ced-9/Egl-1 Interactions Cell Death Differ., 10, 2003
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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 | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, STEROID DELTA-ISOMERASE | Authors: | Ha, N.-C, Kim, M.-S, Kim, J.-S, Oh, B.-H. | Deposit date: | 2000-06-24 | Release date: | 2001-03-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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 | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ISOMERASE | Authors: | Ha, N.-C, Kim, M.-S, Hyun, B.-H, Oh, B.-H. | Deposit date: | 2000-06-22 | Release date: | 2001-03-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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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1OGX
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![BU of 1ogx by Molmil](/molmil-images/mine/1ogx) | High Resolution Crystal Structure Of Ketosteroid Isomerase Mutant D40N(D38N, Ti Numbering) from Pseudomonas putida Complexed With Equilenin At 2.0 A Resolution. | Descriptor: | EQUILENIN, STEROID DELTA-ISOMERASE | Authors: | Ha, N.-C, Kim, M.-S, Oh, B.-H. | Deposit date: | 2003-05-17 | Release date: | 2003-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Detection of Large Pka Perturbation 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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1RCS
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![BU of 1rcs by Molmil](/molmil-images/mine/1rcs) | NMR STUDY OF TRP REPRESSOR-OPERATOR DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*AP*CP*G)-3'), TRP REPRESSOR, TRYPTOPHAN | Authors: | Zhao, D, Zheng, Z. | Deposit date: | 1995-05-12 | Release date: | 1996-06-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structures of the trp repressor-operator DNA complex. J.Mol.Biol., 238, 1994
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6JCG
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![BU of 6jcg by Molmil](/molmil-images/mine/6jcg) | Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography. | Descriptor: | CACODYLATE ION, Integrase | Authors: | Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H. | Deposit date: | 2019-01-28 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers. Int J Mol Sci, 20, 2019
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2PE0
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![BU of 2pe0 by Molmil](/molmil-images/mine/2pe0) | CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ... | Authors: | Whitlow, M, Adler, M. | Deposit date: | 2007-04-01 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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2PE1
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![BU of 2pe1 by Molmil](/molmil-images/mine/2pe1) | CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX | Descriptor: | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Whitlow, M, Adler, M. | Deposit date: | 2007-04-01 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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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 | Descriptor: | (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 | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | Deposit date: | 2015-08-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | 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) | Descriptor: | 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H. | Deposit date: | 2015-08-31 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.457 Å) | Cite: | 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) | Descriptor: | (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 | Authors: | Murray, J.M, Wallweber, H. | Deposit date: | 2015-08-31 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.964 Å) | Cite: | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5VFI
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![BU of 5vfi by Molmil](/molmil-images/mine/5vfi) | Bruton's tyrosine kinase (BTK) with GDC-0853 | Descriptor: | 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, ... | Authors: | Steinbacher, S, Eigenbrot, C. | Deposit date: | 2017-04-07 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | 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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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 | Descriptor: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C. | Deposit date: | 2012-04-02 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | 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 | Descriptor: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf | Authors: | Voegtli, W.C. | Deposit date: | 2012-04-02 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties. J.Med.Chem., 55, 2012
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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 | Descriptor: | Major fimbrial subunit of aggregative adherence fimbria II AafA | Authors: | 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. | Deposit date: | 2014-06-04 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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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 | Descriptor: | CESIUM ION, GLYCEROL, Protein LYRIC, ... | Authors: | Guo, F, Stanevich, V, Wan, L, Satyshur, K, Kang, Y, Xing, Y. | Deposit date: | 2014-06-16 | Release date: | 2014-10-08 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Structural Insights into the Tumor-Promoting Function of the MTDH-SND1 Complex. Cell Rep, 8, 2014
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7SZR
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![BU of 7szr by Molmil](/molmil-images/mine/7szr) | NIK bound to inhibitor G02792917 | Descriptor: | 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Liau, N.P.D, Hymowitz, S.G. | Deposit date: | 2021-11-29 | Release date: | 2023-06-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design. Bioorg.Med.Chem.Lett., 89, 2023
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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. | Descriptor: | BROMIDE ION, CHLORIDE PUMPING RHODOPSIN, RETINAL | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | 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 | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-05-19 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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. | Descriptor: | CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, OLEIC ACID, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | 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. | Descriptor: | CHLORIDE ION, CHLORIDE PUMP RHODOPSIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 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. | Descriptor: | CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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3TGM
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![BU of 3tgm by Molmil](/molmil-images/mine/3tgm) | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(1H-imidazol-1-yl)-4,4-diphenyl-2 butanone | Descriptor: | 1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one, HEXANE-1,6-DIOL, Heme oxygenase 1, ... | Authors: | Rahman, M.N, Jia, Z. | Deposit date: | 2011-08-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A novel, "double-clamp" binding mode for human heme oxygenase-1 inhibition. Plos One, 7, 2012
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7XBD
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![BU of 7xbd by Molmil](/molmil-images/mine/7xbd) | Cryo-EM structure of human galanin receptor 2 | Descriptor: | Galanin, Galanin receptor type 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ishimoto, N, Kita, S, Park, S.Y. | Deposit date: | 2022-03-21 | Release date: | 2022-07-13 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structure of the human galanin receptor 2 bound to galanin and Gq reveals the basis of ligand specificity and how binding affects the G-protein interface. Plos Biol., 20, 2022
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