6XF6
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![BU of 6xf6 by Molmil](/molmil-images/mine/6xf6) | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-06-15 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
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6XF5
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![BU of 6xf5 by Molmil](/molmil-images/mine/6xf5) | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-06-15 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
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8G3C
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8G3E
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![BU of 8g3e by Molmil](/molmil-images/mine/8g3e) | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | Authors: | Zhao, M. | Deposit date: | 2023-02-07 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
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8GDA
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![BU of 8gda by Molmil](/molmil-images/mine/8gda) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | Descriptor: | (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GDB
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![BU of 8gdb by Molmil](/molmil-images/mine/8gdb) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | 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(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GD9
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![BU of 8gd9 by Molmil](/molmil-images/mine/8gd9) | Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein | Descriptor: | 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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8GDC
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![BU of 8gdc by Molmil](/molmil-images/mine/8gdc) | Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein | 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(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths. Proc.Natl.Acad.Sci.USA, 120, 2023
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1NJE
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4NOK
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![BU of 4nok by Molmil](/molmil-images/mine/4nok) | Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5 | Descriptor: | Legumain | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | Deposit date: | 2013-11-19 | Release date: | 2014-02-19 | Last modified: | 2014-03-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage. Cell Res., 24, 2014
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4NOM
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![BU of 4nom by Molmil](/molmil-images/mine/4nom) | Crystal structure of asparaginyl endopeptidase (AEP)/Legumain activated at pH 4.5 | Descriptor: | Legumain | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | Deposit date: | 2013-11-19 | Release date: | 2014-02-19 | Last modified: | 2014-03-19 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage. Cell Res., 24, 2014
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4NOJ
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![BU of 4noj by Molmil](/molmil-images/mine/4noj) | Crystal structure of the mature form of asparaginyl endopeptidase (AEP)/Legumain activated at pH 3.5 | Descriptor: | Legumain | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | Deposit date: | 2013-11-19 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage. Cell Res., 24, 2014
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4NOL
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![BU of 4nol by Molmil](/molmil-images/mine/4nol) | Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain mutant D233A at pH 7.5 | Descriptor: | Legumain | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | Deposit date: | 2013-11-19 | Release date: | 2014-02-19 | Last modified: | 2014-03-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage. Cell Res., 24, 2014
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5K4I
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![BU of 5k4i by Molmil](/molmil-images/mine/5k4i) | Crystal Structure of ERK2 in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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6WNY
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![BU of 6wny by Molmil](/molmil-images/mine/6wny) | Crystal structure of BACE1 in complex with (Z)-fluoro-olefin containing compound 15 | Descriptor: | 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile, Beta-secretase 1, IODIDE ION | Authors: | Whittington, D.A. | Deposit date: | 2020-04-23 | Release date: | 2020-06-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement. Bioorg.Med.Chem.Lett., 30, 2020
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6T5B
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![BU of 6t5b by Molmil](/molmil-images/mine/6t5b) | KRasG12C ligand complex | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-15 | Release date: | 2020-02-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5U
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![BU of 6t5u by Molmil](/molmil-images/mine/6t5u) | KRasG12C ligand complex | Descriptor: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-17 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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6T5V
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![BU of 6t5v by Molmil](/molmil-images/mine/6t5v) | KRasG12C ligand complex | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-17 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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5K4J
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![BU of 5k4j by Molmil](/molmil-images/mine/5k4j) | Crystal Structure of CDK2 in complex with compound 22 | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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7SUS
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![BU of 7sus by Molmil](/molmil-images/mine/7sus) | Crystal structure of Apelin receptor in complex with small molecule | Descriptor: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ... | Authors: | Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M. | Deposit date: | 2021-11-18 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insight into apelin receptor-G protein stoichiometry. Nat.Struct.Mol.Biol., 29, 2022
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7VRG
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![BU of 7vrg by Molmil](/molmil-images/mine/7vrg) | Crystal structure of chitinase-h from O. furnacalis in complex with Lynamicin B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ... | Authors: | Lu, Q, Liu, T, Zhou, Y, Yang, Q. | Deposit date: | 2021-10-22 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lynamicin B is a Potential Pesticide by Acting as a Lepidoptera-Exclusive Chitinase Inhibitor. J.Agric.Food Chem., 69, 2021
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8JGF
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![BU of 8jgf by Molmil](/molmil-images/mine/8jgf) | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | Descriptor: | BAM8-22, 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: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8JGG
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![BU of 8jgg by Molmil](/molmil-images/mine/8jgg) | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22 | Descriptor: | BAM8-22, 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: | Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8JGB
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![BU of 8jgb by Molmil](/molmil-images/mine/8jgb) | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2 | Descriptor: | Conorfamide-Tx2, 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: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | Deposit date: | 2023-05-20 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1. Nat Commun, 14, 2023
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8GOU
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![BU of 8gou by Molmil](/molmil-images/mine/8gou) | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-25 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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