4DJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4djy by Molmil](/molmil-images/mine/4djy) | |
5GNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gnk by Molmil](/molmil-images/mine/5gnk) | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2016-07-21 | Release date: | 2017-04-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode. J. Med. Chem., 60, 2017
|
|
5U5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u5h by Molmil](/molmil-images/mine/5u5h) | Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | Descriptor: | (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-06 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
|
|
8JZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jzn by Molmil](/molmil-images/mine/8jzn) | Structure of a fungal 1,3-beta-glucan synthase | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L. | Deposit date: | 2023-07-05 | Release date: | 2023-10-04 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structure of a fungal 1,3-beta-glucan synthase. Sci Adv, 9, 2023
|
|
5GTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gty by Molmil](/molmil-images/mine/5gty) | Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2016-08-23 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode. Oncotarget, 8, 2017
|
|
4OHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ohi by Molmil](/molmil-images/mine/4ohi) | LEOPARD Syndrome-Associated SHP2/Q510E mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y. | Deposit date: | 2014-01-17 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations. Biochemistry, 53, 2014
|
|
4DJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4djx by Molmil](/molmil-images/mine/4djx) | |
4DJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dju by Molmil](/molmil-images/mine/4dju) | Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2012-02-02 | Release date: | 2012-03-21 | Last modified: | 2012-04-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
|
|
5U62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u62 by Molmil](/molmil-images/mine/5u62) | Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine | Descriptor: | (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ... | Authors: | Bussiere, D, Shu, W. | Deposit date: | 2016-12-07 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase. J. Med. Chem., 60, 2017
|
|
8GSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gsp by Molmil](/molmil-images/mine/8gsp) | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2 | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | Authors: | He, Y, Li, K. | Deposit date: | 2022-09-06 | Release date: | 2023-10-11 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies. Plos Pathog., 19, 2023
|
|
8W88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w88 by Molmil](/molmil-images/mine/8w88) | Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
|
|
8W8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w8b by Molmil](/molmil-images/mine/8w8b) | Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ... | Authors: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
|
|
8W87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w87 by Molmil](/molmil-images/mine/8w87) | Cryo-EM structure of the METH-TAAR1 complex | Descriptor: | (2S)-N-methyl-1-phenylpropan-2-amine, 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: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
|
|
8W8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w8a by Molmil](/molmil-images/mine/8w8a) | Cryo-EM structure of the RO5256390-TAAR1 complex | Descriptor: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, 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: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
|
|
8W89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w89 by Molmil](/molmil-images/mine/8w89) | Cryo-EM structure of the PEA-bound TAAR1-Gs complex | Descriptor: | 2-PHENYLETHYLAMINE, 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: | Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F. | Deposit date: | 2023-09-01 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Recognition of methamphetamine and other amines by trace amine receptor TAAR1. Nature, 624, 2023
|
|
8K60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k60 by Molmil](/molmil-images/mine/8k60) | |
4DJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4djw by Molmil](/molmil-images/mine/4djw) | |
7MTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mtc by Molmil](/molmil-images/mine/7mtc) | Structure of freshly purified SARS-CoV-2 S2P spike at pH 7.4 | 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: | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | Deposit date: | 2021-05-13 | Release date: | 2021-09-15 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity. J.Biol.Chem., 297, 2021
|
|
7MTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mtd by Molmil](/molmil-images/mine/7mtd) | Structure of aged SARS-CoV-2 S2P spike at pH 7.4 | 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: | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | Deposit date: | 2021-05-13 | Release date: | 2021-09-15 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity. J.Biol.Chem., 297, 2021
|
|
7MTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mte by Molmil](/molmil-images/mine/7mte) | |
6J08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j08 by Molmil](/molmil-images/mine/6j08) | Crystal structure of human MAJIN and TERB2 | Descriptor: | Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2 | Authors: | Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M. | Deposit date: | 2018-12-21 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope. Nat Commun, 10, 2019
|
|
5ZZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zz3 by Molmil](/molmil-images/mine/5zz3) | Crystal structure of intracellular B30.2 domain of BTN3A3 | Descriptor: | Butyrophilin, subfamily 3, member A3 isoform b variant | Authors: | Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-05-30 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
|
|
3S2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s2a by Molmil](/molmil-images/mine/3s2a) | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | Descriptor: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-05-16 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives. J.Med.Chem., 54, 2011
|
|
4AWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4awq by Molmil](/molmil-images/mine/4awq) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4AWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4awo by Molmil](/molmil-images/mine/4awo) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
|
|