5XDZ
 
 | | Crystal structure of zebrafish SNX25 PX domain | | Descriptor: | CHLORIDE ION, Cellular trafficking protein, SODIUM ION | | Authors: | Su, K, Zhang, Y, Xu, J, Liu, J. | | Deposit date: | 2017-03-30 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain
FEBS Lett., 591, 2017
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8H6P
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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8H6T
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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8HEF
 | | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | | Authors: | Yan, M, Zhang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
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5JDS
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5JDR
 | | Structure of PD-L1 | | Descriptor: | Programmed cell death 1 ligand 1 | | Authors: | Zhou, A, Wei, H. | | Deposit date: | 2016-04-17 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
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6B41
 | | Menin bound to M-525 | | Descriptor: | Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate | | Authors: | Stuckey, J.A. | | Deposit date: | 2017-09-25 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5DJO
 | | Crystal structure of the CC1-FHA tandem of Kinesin-3 KIF13A | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Ren, J.Q, Li, W, Huo, L, Feng, W. | | Deposit date: | 2015-09-02 | | Release date: | 2015-12-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural Correlation of the Neck Coil with the Coiled-coil (CC1)-Forkhead-associated (FHA) Tandem for Active Kinesin-3 KIF13A
J.Biol.Chem., 291, 2016
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5DJN
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | | Deposit date: | 2011-01-07 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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5XXY
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6KMH
 | | The crystal structure of CASK/Mint1 complex | | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | | Authors: | Li, W, Feng, W. | | Deposit date: | 2019-07-31 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
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6N4E
 | | hPGDS complexed with a quinoline-3-carboxamide | | Descriptor: | 7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase | | Authors: | Shewchuk, L.M, Ward, P. | | Deposit date: | 2018-11-19 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors.
Bioorg. Med. Chem., 27, 2019
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6N69
 | | rat hPGDS complexed with a quinoline | | Descriptor: | GLUTATHIONE, Hematopoietic prostaglandin D synthase, quinoline-3-carbonitrile | | Authors: | Shewchuk, L.M, Cleasby, A. | | Deposit date: | 2018-11-26 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The discovery of quinoline-3-carboxamides as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors.
Bioorg. Med. Chem., 27, 2019
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7W5E
 | | Oxidase ChaP D49L mutant | | Descriptor: | ChaP, FE (III) ION | | Authors: | Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R. | | Deposit date: | 2021-11-30 | | Release date: | 2022-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7WB2
 | | Oxidase ChaP-D49L/Y109F mutant | | Descriptor: | ChaP, FE (III) ION | | Authors: | Zong, Y, Zheng, W, Wang, Y, Zhu, J, Tan, R. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7XBW
 | | Cryo-EM structure of the human chemokine receptor CX3CR1 in complex with Gi1 | | Descriptor: | CHOLESTEROL, CX3C chemokine receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Lu, M, Zhao, W, Han, S, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Activation of the human chemokine receptor CX3CR1 regulated by cholesterol.
Sci Adv, 8, 2022
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7XBX
 | | Cryo-EM structure of the human chemokine receptor CX3CR1 in complex with CX3CL1 and Gi1 | | Descriptor: | CHOLESTEROL, 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: | Lu, M, Zhao, W, Han, S, Zhu, Y, Wu, B, Zhao, Q. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Activation of the human chemokine receptor CX3CR1 regulated by cholesterol.
Sci Adv, 8, 2022
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7XSJ
 | | The structure of the Mint1/Munc18-1/syntaxin-1 complex | | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, Syntaxin-1A, Syntaxin-binding protein 1 | | Authors: | Feng, W, Li, W. | | Deposit date: | 2022-05-14 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A non-canonical target-binding site in Munc18-1 domain 3b for assembling the Mint1-Munc18-1-syntaxin-1 complex.
Structure, 31, 2023
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7C39
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose | | Descriptor: | AoflcA, CITRIC ACID, GLYCEROL, ... | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-11 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C3D
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-arabinose | | Descriptor: | AofleA, GLYCEROL, alpha-D-arabinopyranose, ... | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.596 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C38
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with L-fucose | | Descriptor: | AofleA, GLYCEROL, alpha-L-fucopyranose, ... | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-11 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C3E
 | | Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora | | Descriptor: | AofleA, GLYCEROL, SULFATE ION | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C3C
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose | | Descriptor: | AofleA, GLYCEROL, alpha-D-mannopyranose, ... | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.301 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C37
 | | Crystal structure of AofleA from Arthrobotrys oligospora | | Descriptor: | AofleA, BICINE | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-11 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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