8JFL
| PhK holoenzyme in active state, muscle isoform | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ... | Authors: | Yang, X.K, Xiao, J.Y. | Deposit date: | 2023-05-18 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Architecture and activation of human muscle phosphorylase kinase. Nat Commun, 15, 2024
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8JFK
| PhK holoenzyme in inactive state, muscle isoform | Descriptor: | Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ... | Authors: | Yang, X.K, Xiao, J.Y. | Deposit date: | 2023-05-18 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Architecture and activation of human muscle phosphorylase kinase. Nat Commun, 15, 2024
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6KZC
| crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide | Descriptor: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor | Authors: | Zhang, Z.M, Wang, Y. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
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6KZD
| Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide | Descriptor: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION | Authors: | Wang, Y, Zhang, Z.M. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
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8OZC
| cryoEM structure of SPARTA complex heterodimer apo | Descriptor: | Piwi domain-containing protein, TIR domain-containing protein | Authors: | Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H. | Deposit date: | 2023-05-09 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Activation mechanism of a short argonaute-TIR prokaryotic immune system. Sci Adv, 9, 2023
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8OZD
| cryoEM structure of SPARTA complex dimer-3 | Descriptor: | DNA (16-MER), Piwi domain-containing protein, RNA (18-MER), ... | Authors: | Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H. | Deposit date: | 2023-05-09 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Activation mechanism of a short argonaute-TIR prokaryotic immune system. Sci Adv, 9, 2023
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7F6V
| Cryo-EM structure of the human TACAN channel in a closed state | Descriptor: | CHOLESTEROL, Ion channel TACAN | Authors: | Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2021-06-25 | Release date: | 2022-02-16 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Cryo-EM structure of the human TACAN in a closed state. Cell Rep, 38, 2022
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2OQ1
| Tandem SH2 domains of ZAP-70 with 19-mer zeta1 peptide | Descriptor: | LEAD (II) ION, T-cell surface glycoprotein CD3 zeta chain, Tyrosine-protein kinase ZAP-70 | Authors: | Hatada, M.H, Laird, E.R, Green, J, Morgenstern, J, Ram, M.K. | Deposit date: | 2007-01-30 | Release date: | 2007-03-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for the interaction of ZAP-70 with the T-cell receptor Nature, 377, 1995
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6NVH
| FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVJ
| FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVL
| FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide | Descriptor: | Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVG
| FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVK
| FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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6NVI
| FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide | Descriptor: | Fibroblast growth factor receptor 4, N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide, SULFATE ION | Authors: | Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y. | Deposit date: | 2019-02-05 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett., 10, 2019
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3RL7
| Crystal structure of hDLG1-PDZ1 complexed with APC | Descriptor: | 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1 | Authors: | Zhang, Z, Li, H, Wu, G. | Deposit date: | 2011-04-19 | Release date: | 2011-12-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein. Plos One, 6, 2011
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3RL8
| Crystal structure of hDLG1-PDZ2 complexed with APC | Descriptor: | 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1 | Authors: | Zhang, Z, Li, H, Wu, G. | Deposit date: | 2011-04-19 | Release date: | 2011-12-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein. Plos One, 6, 2011
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3KYC
| Human SUMO E1 complex with a SUMO1-AMP mimic | Descriptor: | 5'-deoxy-5'-(sulfamoylamino)adenosine, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Lima, C.D. | Deposit date: | 2009-12-05 | Release date: | 2010-02-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Active site remodelling accompanies thioester bond formation in the SUMO E1. Nature, 463, 2010
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3KYD
| Human SUMO E1~SUMO1-AMP tetrahedral intermediate mimic | Descriptor: | 1,2-ETHANEDIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, SUMO-activating enzyme subunit 1, ... | Authors: | Lima, C.D. | Deposit date: | 2009-12-05 | Release date: | 2010-02-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Active site remodelling accompanies thioester bond formation in the SUMO E1. Nature, 463, 2010
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6MX8
| Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | Authors: | Dougan, D.R, Zhou, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem., 59, 2016
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5FGW
| Structure of Sda1 nuclease with bound zinc ion | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C. | Deposit date: | 2015-12-21 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes. Nucleic Acids Res., 44, 2016
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5FGU
| Structure of Sda1 nuclease apoprotein as an EGFP fixed-arm fusion | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Green fluorescent protein,Extracellular streptodornase D, ... | Authors: | Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C. | Deposit date: | 2015-12-21 | Release date: | 2016-03-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes. Nucleic Acids Res., 44, 2016
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5F9W
| Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ... | Authors: | Chen, L, Zhou, T, Kwong, P.D. | Deposit date: | 2015-12-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8911 Å) | Cite: | Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody. Cell, 165, 2016
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5F96
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8GVJ
| Crystal structure of cMET kinase domain bound by D6808 | Descriptor: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2022-09-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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5GMP
| Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 | Descriptor: | Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2016-07-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties. Eur J Med Chem, 126, 2017
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