5ZGD
| hnRNPA1 reversible amyloid core GFGGNDNFG (residues 209-217) determined by X-ray | Descriptor: | GLY-PHE-GLY-GLY-ASN-ASP-ASN-PHE-GLY | Authors: | Gui, X, Xie, M, Zhao, M, Luo, F, He, J, Li, D, Liu, C. | Deposit date: | 2018-03-08 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly. Nat Commun, 10, 2019
|
|
5ZGL
| hnRNP A1 segment GGGYGGS (residues 234-240) | Descriptor: | 7-mer peptide from Heterogeneous nuclear ribonucleoprotein A1 | Authors: | Xie, M, Luo, F, Gui, X, Zhao, M, He, J, Li, D, Liu, C. | Deposit date: | 2018-03-09 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly. Nat Commun, 10, 2019
|
|
8HDK
| Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (minor class in symmetry) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S. | Deposit date: | 2022-11-04 | Release date: | 2023-03-29 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
|
|
8HLW
| Crystal structure of SIRT3 in complex with H4K16la peptide | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Histone H4 residues 20-27, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Zhuming, F, Hao, Q. | Deposit date: | 2022-12-01 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of SIRT3 as an eraser of H4K16la. Iscience, 26, 2023
|
|
8HLY
| |
8IKH
| Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8IKG
| Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6OQ5
| Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | Descriptor: | 5D, 7F, E3, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2019-04-25 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.87 Å) | Cite: | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
|
|
3KME
| Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
|
|
7CJM
| SARS CoV-2 PLpro in complex with GRL0617 | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION | Authors: | Fu, Z, Huang, H. | Deposit date: | 2020-07-11 | Release date: | 2020-09-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery. Nat Commun, 12, 2021
|
|
6OQ7
| Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3 | Descriptor: | E3, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2019-04-25 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
|
|
5ED3
| crystal structure of human Hint1 complexing with AP5A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2015-10-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.309 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
|
|
6OQ8
| |
3KMC
| Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | Descriptor: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
|
|
6OQ6
| |
7C1D
| |
4HVB
| Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064 | Descriptor: | 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Knighton, D.R, Cheng, H. | Deposit date: | 2012-11-05 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design. ACS Med Chem Lett, 4, 2013
|
|
5HG9
| EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one | Descriptor: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S. | Deposit date: | 2016-01-08 | Release date: | 2016-02-03 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. J.Med.Chem., 59, 2016
|
|
5HG8
| EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide | Descriptor: | Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ... | Authors: | Gajiwala, K.S. | Deposit date: | 2016-01-08 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. J.Med.Chem., 59, 2016
|
|
5HG7
| EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988) | Descriptor: | 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one, Epidermal growth factor receptor, SULFATE ION | Authors: | Gajiwala, K.S. | Deposit date: | 2016-01-08 | Release date: | 2016-01-27 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. J.Med.Chem., 59, 2016
|
|
6DFQ
| mouse diabetogenic TCR I.29 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TCR alpha chain, ... | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
|
|
6DFV
| Mouse diabetogenic TCR 8F10 | Descriptor: | 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
|
|
6WNH
| Menin bound to inhibitor M-808 | Descriptor: | Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2020-04-22 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity. J.Med.Chem., 63, 2020
|
|
6DFW
| TCR 8F10 in complex with IAg7-p8G9E | Descriptor: | 8F10 alpha chain, 8F10 beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
|
|
7Q6T
| Crystal structure of the bromodomain of ATAD2 with AZ13824374 | Descriptor: | (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
|
|