8QVW
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![BU of 8qvw by Molmil](/molmil-images/mine/8qvw) | Cryo-EM structure of the peptide binding domain of human SRP68/72 | Descriptor: | Signal recognition particle subunit SRP68, Signal recognition particle subunit SRP72 | Authors: | Zhong, Y, Feng, J, Koh, A.F, Kotecha, A, Greber, B.J, Ataide, S.F. | Deposit date: | 2023-10-18 | Release date: | 2024-02-07 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of SRP68/72 reveals an extended dimerization domain with RNA-binding activity. Nucleic Acids Res., 52, 2024
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2LSP
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![BU of 2lsp by Molmil](/molmil-images/mine/2lsp) | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | Descriptor: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | Authors: | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | Deposit date: | 2012-05-03 | Release date: | 2012-07-18 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition. J.Biol.Chem., 287, 2012
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5JOM
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![BU of 5jom by Molmil](/molmil-images/mine/5jom) | X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D. | Deposit date: | 2016-05-02 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography. Acta Crystallogr D Struct Biol, 72, 2016
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8JMT
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![BU of 8jmt by Molmil](/molmil-images/mine/8jmt) | Structure of the adhesion GPCR ADGRL3 in the apo state | Descriptor: | Adhesion G protein-coupled receptor L3,Soluble cytochrome b562 | Authors: | Tao, Y, Guo, Q, He, B, Zhong, Y. | Deposit date: | 2023-06-05 | Release date: | 2023-09-06 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | A method for structure determination of GPCRs in various states. Nat.Chem.Biol., 20, 2024
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7DMC
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![BU of 7dmc by Molmil](/molmil-images/mine/7dmc) | Dipyridamole binds to the N-terminal domain of human Hsp90A | Descriptor: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ... | Authors: | Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N. | Deposit date: | 2020-12-03 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines. Biochem Pharmacol, 207, 2022
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8D4Y
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![BU of 8d4y by Molmil](/molmil-images/mine/8d4y) | C-terminal SANT-SLIDE domain of human Chromodomain-helicase-DNA-binding protein 4 (CHD4) | Descriptor: | Chromodomain-helicase-DNA-binding protein 4 | Authors: | Moghaddas Sani, H, Deshpande, C.N, Panjikar, S, Patel, K, Mackay, J.P. | Deposit date: | 2022-06-03 | Release date: | 2022-12-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The role of auxiliary domains in modulating CHD4 activity suggests mechanistic commonality between enzyme families. Nat Commun, 13, 2022
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7WGR
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![BU of 7wgr by Molmil](/molmil-images/mine/7wgr) | Cryo-electron microscopic structure of the 2-oxoglutarate dehydrogenase (E1) component of the human alpha-ketoglutarate (2-oxoglutarate) dehydrogenase complex | Descriptor: | 2-oxoglutarate dehydrogenase, mitochondrial, CALCIUM ION, ... | Authors: | Yu, X, Yang, W, Zhong, Y.H, Ma, X.M, Gao, Y.Z. | Deposit date: | 2021-12-28 | Release date: | 2022-06-01 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural basis for the activity and regulation of human alpha-ketoglutarate dehydrogenase revealed by Cryo-EM Biochem.Biophys.Res.Commun., 602, 2022
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6DF6
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![BU of 6df6 by Molmil](/molmil-images/mine/6df6) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | Descriptor: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | Deposit date: | 2018-05-14 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
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6DFN
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![BU of 6dfn by Molmil](/molmil-images/mine/6dfn) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ... | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | Deposit date: | 2018-05-15 | Release date: | 2019-02-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
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4F3I
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![BU of 4f3i by Molmil](/molmil-images/mine/4f3i) | Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | Authors: | Joshua, J, Zhou, M.-M, Plotnikov, A.N. | Deposit date: | 2012-05-09 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Down-regulation of NF-{kappa}B Transcriptional Activity in HIV-associated Kidney Disease by BRD4 Inhibition. J.Biol.Chem., 287, 2012
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7D77
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![BU of 7d77 by Molmil](/molmil-images/mine/7d77) | Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-Go complex | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ... | Authors: | Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex. Nature, 589, 2021
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7D76
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![BU of 7d76 by Molmil](/molmil-images/mine/7d76) | Cryo-EM structure of the beclomethasone-bound adhesion receptor GPR97-Go complex | Descriptor: | (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ... | Authors: | Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J. | Deposit date: | 2020-10-03 | Release date: | 2021-02-03 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex. Nature, 589, 2021
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7CX4
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![BU of 7cx4 by Molmil](/molmil-images/mine/7cx4) | Cryo-EM structure of the Evatanepag-bound EP2-Gs complex | Descriptor: | 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX3
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![BU of 7cx3 by Molmil](/molmil-images/mine/7cx3) | Cryo-EM structure of the Taprenepag-bound EP2-Gs complex | Descriptor: | 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX2
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![BU of 7cx2 by Molmil](/molmil-images/mine/7cx2) | Cryo-EM structure of the PGE2-bound EP2-Gs complex | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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6BI6
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![BU of 6bi6 by Molmil](/molmil-images/mine/6bi6) | Solution NMR structure of uncharacterized protein YejG | Descriptor: | Uncharacterized protein YejG | Authors: | Mohanty, B, Finn, T.J, Macindoe, I, Zhong, J, Patrick, W.M, Mackay, J.P. | Deposit date: | 2017-11-01 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The uncharacterized bacterial protein YejG has the same architecture as domain III of elongation factor G. Proteins, 87, 2019
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6WOK
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![BU of 6wok by Molmil](/molmil-images/mine/6wok) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | Descriptor: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | Deposit date: | 2020-04-24 | Release date: | 2020-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. Acs Med.Chem.Lett., 11, 2020
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8JJ8
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![BU of 8jj8 by Molmil](/molmil-images/mine/8jj8) | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with a partial agonist | Descriptor: | Beta-2 adrenergic receptor,Soluble cytochrome b562, ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide | Authors: | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | Deposit date: | 2023-05-29 | Release date: | 2023-09-06 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A method for structure determination of GPCRs in various states. Nat.Chem.Biol., 20, 2024
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8JJL
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![BU of 8jjl by Molmil](/molmil-images/mine/8jjl) | cryo-EM structure of the beta2-AR-mBRIL/1b3 Fab/Glue complex with a full agonist | Descriptor: | Beta-2 adrenergic receptor,Soluble cytochrome b562, Olodaterol | Authors: | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | Deposit date: | 2023-05-30 | Release date: | 2023-09-06 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A method for structure determination of GPCRs in various states. Nat.Chem.Biol., 20, 2024
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8J7E
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![BU of 8j7e by Molmil](/molmil-images/mine/8j7e) | Crystal structure of BRIL in complex with 1b3 Fab | Descriptor: | Antibody 1b3 Fab Heavy chain, Antibody 1b3 Fab Light chain, Soluble cytochrome b562 | Authors: | Zhong, Y.X, Guo, Q, Tao, Y.Y. | Deposit date: | 2023-04-27 | Release date: | 2023-09-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A method for structure determination of GPCRs in various states. Nat.Chem.Biol., 20, 2024
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8JJO
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![BU of 8jjo by Molmil](/molmil-images/mine/8jjo) | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Beta-2 adrenergic receptor,Soluble cytochrome b562 | Authors: | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | Deposit date: | 2023-05-31 | Release date: | 2023-09-06 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A method for structure determination of GPCRs in various states. Nat.Chem.Biol., 20, 2024
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5DFP
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![BU of 5dfp by Molmil](/molmil-images/mine/5dfp) | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | Deposit date: | 2015-08-27 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
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5DEY
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![BU of 5dey by Molmil](/molmil-images/mine/5dey) | Crystal structure of PAK1 in complex with an inhibitor compound G-5555 | Descriptor: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2015-08-26 | Release date: | 2016-01-27 | Last modified: | 2016-06-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
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2AX5
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![BU of 2ax5 by Molmil](/molmil-images/mine/2ax5) | Solution Structure of Urm1 from Saccharomyces Cerevisiae | Descriptor: | Hypothetical 11.0 kDa protein in FAA3-MAS3 intergenic region | Authors: | Xu, J, Huang, H, Zhang, J, Wu, J, Shi, Y. | Deposit date: | 2005-09-03 | Release date: | 2006-06-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of Urm1 and its implications for the origin of protein modifiers. Proc.Natl.Acad.Sci.Usa, 103, 2006
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7MSA
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![BU of 7msa by Molmil](/molmil-images/mine/7msa) | GDC-9545 in complex with estrogen receptor alpha | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F. | Deposit date: | 2021-05-10 | Release date: | 2021-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer. J.Med.Chem., 64, 2021
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