3CWE
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![BU of 3cwe by Molmil](/molmil-images/mine/3cwe) | PTP1B in complex with a phosphonic acid inhibitor | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | Authors: | Scapin, G, Han, Y, Kennedy, B.P. | Deposit date: | 2008-04-21 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor Bioorg.Med.Chem.Lett., 18, 2008
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2ALF
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![BU of 2alf by Molmil](/molmil-images/mine/2alf) | crystal structure of human CypA mutant K131A | Descriptor: | MAGNESIUM ION, Peptidyl-prolyl cis-trans isomerase A | Authors: | Hu, H, Huang, C.-Q, Liu, H.-L, Han, Y, Chen, M.-E, Yu, L, Bi, R.-C. | Deposit date: | 2005-08-05 | Release date: | 2005-08-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nuclease activity of Cyclophilin A and its structural basis TO BE PUBLISHED
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4NUX
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![BU of 4nux by Molmil](/molmil-images/mine/4nux) | Structure of receptor A | Descriptor: | Interleukin-17 receptor A | Authors: | Zhang, B, Han, Y, Deng, J. | Deposit date: | 2013-12-04 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Structure of the unique SEFIR domain from human interleukin 17 receptor A reveals a composite ligand-binding site containing a conserved alpha-helix for Act1 binding and IL-17 signaling. Acta Crystallogr.,Sect.D, 70, 2014
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1XG3
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![BU of 1xg3 by Molmil](/molmil-images/mine/1xg3) | Crystal structure of the C123S 2-methylisocitrate lyase mutant from Escherichia coli in complex with the reaction product, Mg(II)-pyruvate and succinate | Descriptor: | MAGNESIUM ION, PYRUVIC ACID, Probable methylisocitrate lyase, ... | Authors: | Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O. | Deposit date: | 2004-09-16 | Release date: | 2005-03-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution Biochemistry, 44, 2005
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1XG4
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![BU of 1xg4 by Molmil](/molmil-images/mine/1xg4) | Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate | Descriptor: | ISOCITRIC ACID, MAGNESIUM ION, Probable methylisocitrate lyase | Authors: | Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O. | Deposit date: | 2004-09-16 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution Biochemistry, 44, 2005
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7CN9
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![BU of 7cn9 by Molmil](/molmil-images/mine/7cn9) | Cryo-EM structure of SARS-CoV-2 Spike ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C. | Deposit date: | 2020-07-30 | Release date: | 2020-08-26 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2. Cell Rep, 32, 2020
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6K3B
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![BU of 6k3b by Molmil](/molmil-images/mine/6k3b) | Crystal structure of Lpg2147-Lpg2149 complex | Descriptor: | Lpg2147, Uncharacterized protein | Authors: | Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y. | Deposit date: | 2019-05-17 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC. Nat Commun, 11, 2020
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6KFP
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![BU of 6kfp by Molmil](/molmil-images/mine/6kfp) | Crystal structure of MavC ternary complex | Descriptor: | MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N | Authors: | Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y. | Deposit date: | 2019-07-08 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC. Nat Commun, 11, 2020
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8QQK
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![BU of 8qqk by Molmil](/molmil-images/mine/8qqk) | Cryo-EM structure of E. coli cytochrome bo3 quinol oxidase assembled in peptidiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, ... | Authors: | Gao, Y, Zhang, Y, Hakke, S, Peters, P.J, Ravelli, R.B.G. | Deposit date: | 2023-10-05 | Release date: | 2024-04-24 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structure of cytochrome bo 3 quinol oxidase assembled in peptidiscs reveals an "open" conformation for potential ubiquinone-8 release. Biochim Biophys Acta Bioenerg, 1865, 2024
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7BV1
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![BU of 7bv1 by Molmil](/molmil-images/mine/7bv1) | Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | Deposit date: | 2020-04-09 | Release date: | 2020-04-22 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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7BV2
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![BU of 7bv2 by Molmil](/molmil-images/mine/7bv2) | The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | Deposit date: | 2020-04-09 | Release date: | 2020-04-22 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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6PWW
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![BU of 6pww by Molmil](/molmil-images/mine/6pww) | Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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6PWC
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![BU of 6pwc by Molmil](/molmil-images/mine/6pwc) | A complex structure of arrestin-2 bound to neurotensin receptor 1 | Descriptor: | Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ... | Authors: | Yin, W, Li, Z, Jin, M, Yin, Y.-L, de Waal, P.W, Pal, K, Gao, X, He, Y, Gao, J, Wang, X, Zhang, Y, Zhou, H, Melcher, K, Jiang, Y, Cong, Y, Zhou, X.E, Yu, X, Xu, H.E. | Deposit date: | 2019-07-22 | Release date: | 2019-12-04 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | A complex structure of arrestin-2 bound to a G protein-coupled receptor. Cell Res., 29, 2019
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6PWX
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![BU of 6pwx by Molmil](/molmil-images/mine/6pwx) | Cryo-EM structure of RbBP5 bound to the nucleosome | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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6PWV
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![BU of 6pwv by Molmil](/molmil-images/mine/6pwv) | Cryo-EM structure of MLL1 core complex bound to the nucleosome | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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8QSO
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![BU of 8qso by Molmil](/molmil-images/mine/8qso) | Crystal structure of human Mcl-1 in complex with compound 1 | Descriptor: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | Deposit date: | 2023-10-10 | Release date: | 2024-02-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen. J.Med.Chem., 67, 2024
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7YVR
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![BU of 7yvr by Molmil](/molmil-images/mine/7yvr) | Crystal Structure of L-Threonine Aldolase from Neptunomonas marina | Descriptor: | GLYCEROL, L-threonine aldolase | Authors: | He, Y.Z, Wang, J, Yan, W.P, Zhang, Y, Feng, Y. | Deposit date: | 2022-08-19 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Engineering of the L-Threonine Aldolase from Neptunomonas marine for the Efficient Synthesis of beta-Hydroxy-alpha-amino Acids via C-C Formation Acs Catalysis, 2023
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2JQB
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![BU of 2jqb by Molmil](/molmil-images/mine/2jqb) | Solution structure of a novel D-amiNo acid containing conopeptide, conomarphin at pH 5 | Descriptor: | Conomarphin | Authors: | Huang, F, Du, W, Han, Y, Wang, C, Chi, C. | Deposit date: | 2007-05-31 | Release date: | 2008-06-03 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel D-amiNo acid containing conopeptide, conomarphin at pH 5 To be Published
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7YP9
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![BU of 7yp9 by Molmil](/molmil-images/mine/7yp9) | |
7YPA
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![BU of 7ypa by Molmil](/molmil-images/mine/7ypa) | |
7YPB
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7MYN
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![BU of 7myn by Molmil](/molmil-images/mine/7myn) | Cryo-EM Structure of p110alpha in complex with p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MYO
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![BU of 7myo by Molmil](/molmil-images/mine/7myo) | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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6PB0
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![BU of 6pb0 by Molmil](/molmil-images/mine/6pb0) | Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 1 receptor in complex with Gs protein and Nb35 | Descriptor: | CHOLESTEROL, Corticotropin-releasing factor receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E. | Deposit date: | 2019-06-12 | Release date: | 2020-02-12 | Last modified: | 2020-02-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors. Mol.Cell, 77, 2020
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7FIN
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![BU of 7fin by Molmil](/molmil-images/mine/7fin) | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex | Descriptor: | CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ... | Authors: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | Deposit date: | 2021-07-31 | Release date: | 2022-02-23 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors. Nat Commun, 13, 2022
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