5WYS
 
 | | luciferase with inhibitor 3i | | Descriptor: | 5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid, Luciferin 4-monooxygenase | | Authors: | Gu, L, Su, J, Wang, F. | | Deposit date: | 2017-01-15 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.999 Å) | | Cite: | Inhibiting Firefly Bioluminescence by Chalcones
Anal. Chem., 89, 2017
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5GYZ
 | | luciferase AMP/7-cy-L complex | | Descriptor: | (4S)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Su, J, Wang, F. | | Deposit date: | 2016-09-26 | | Release date: | 2017-09-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of luciferase with AMP/7-cy-L at 2.4 Angstroms resolution
To Be Published
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4O8C
 | | Structure of the H170Y mutant of thermostable p-nitrophenylphosphatase from Bacillus Stearothermophilus | | Descriptor: | MAGNESIUM ION, SULFATE ION, Thermostable NPPase | | Authors: | Shen, T, Guo, Z, Wang, F, Gong, W, Ji, C. | | Deposit date: | 2013-12-27 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a His170Tyr mutant of thermostable pNPPase from Geobacillus stearothermophilus.
Acta Crystallogr.,Sect.F, 70, 2014
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7YTV
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7VS2
 | | secreted fungal effector protein MoErs1 | | Descriptor: | MoErs1 | | Authors: | Wang, F.F, Xing, W.M. | | Deposit date: | 2021-10-25 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
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3C27
 | | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors | | Descriptor: | Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | | Authors: | Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. | | Deposit date: | 2008-01-24 | | Release date: | 2009-02-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors
To be Published
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7YDX
 | | Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | | Deposit date: | 2022-07-04 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.642 Å) | | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | Authors: | Zhou, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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7VKK
 | | Crystal structure of D. melanogaster SAMTOR V66W/E67P mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine sensor upstream of mTORC1, SULFATE ION | | Authors: | Zhang, T, Ding, J. | | Deposit date: | 2021-09-30 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Molecular mechanism of S -adenosylmethionine sensing by SAMTOR in mTORC1 signaling.
Sci Adv, 8, 2022
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7VKR
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7VKQ
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7WB5
 | | local structure of hu33 and spike | | Descriptor: | Surface glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hu33 heavy chain, ... | | Authors: | Pulan, L. | | Deposit date: | 2021-12-15 | | Release date: | 2022-10-26 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A non-ACE2-blocking neutralizing antibody against Omicron-included SARS-CoV-2 variants.
Signal Transduct Target Ther, 7, 2022
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7WBH
 | | overall structure of hu33 and spike | | 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: | Pulan, L. | | Deposit date: | 2021-12-16 | | Release date: | 2022-10-26 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A non-ACE2-blocking neutralizing antibody against Omicron-included SARS-CoV-2 variants.
Signal Transduct Target Ther, 7, 2022
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7WVD
 | | Crystal structure of H14 complexed with SIA28 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ... | | Authors: | Chen, Y, Qi, J, Gao, G.F. | | Deposit date: | 2022-02-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.39 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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7WVI
 | | Crystal structure of SIA28 | | Descriptor: | Heavy chain of SIA28, Light chain of SIA28 | | Authors: | Chen, Y, Qi, J, Gao, G.F. | | Deposit date: | 2022-02-10 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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7WVG
 | | Crystal structure of H18 complexed with SIA28 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ... | | Authors: | Chen, Y, Qi, J, Gao, G.F. | | Deposit date: | 2022-02-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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7XWX
 | | Crystal structure of SARS-CoV-2 N-CTD | | Descriptor: | Nucleoprotein, PHOSPHATE ION | | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | | Deposit date: | 2022-05-27 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
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7XWZ
 | | Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ... | | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | | Deposit date: | 2022-05-27 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
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7XX1
 | | Crystal structure of SARS-CoV-2 N-NTD | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | | Deposit date: | 2022-05-27 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
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7WL2
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7WLE
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7WL9
 | | Mouse Pendrin in chloride and bicarbonate in asymmetric state | | Descriptor: | CHLORIDE ION, Pendrin | | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | | Deposit date: | 2022-01-12 | | Release date: | 2023-04-12 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
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7WLA
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7WK1
 | | Mouse Pendrin bound chloride in inward state | | Descriptor: | CHLORIDE ION, Pendrin | | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | | Deposit date: | 2022-01-08 | | Release date: | 2023-04-12 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
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7WL7
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