7OO7
 
 | | KRasG12C ligand complex | | Descriptor: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | | Authors: | Phillips, C. | | Deposit date: | 2021-05-26 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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4ZLK
 | | Crystal structure of mouse myosin-5a in complex with calcium-bound calmodulin | | Descriptor: | CALCIUM ION, Calmodulin, Unconventional myosin-Va | | Authors: | Shen, M, Zhang, N, Zheng, S, Zhang, W.-B, Zhang, H.-M, Lu, Z, Su, Q.P, Sun, Y, Ye, K, Li, X.-D. | | Deposit date: | 2015-05-01 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structural basis for calcium regulation of myosin 5 motor function
To Be Published
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6DCH
 | | Structure of isonitrile biosynthesis enzyme ScoE | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Born, D.A, Drennan, C.L. | | Deposit date: | 2018-05-07 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isonitrile Formation by a Non-Heme Iron(II)-Dependent Oxidase/Decarboxylase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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7PN6
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7PN7
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7PN5
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7PNA
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7PN8
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7PN4
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7PN9
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7QWM
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7QVF
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7QVC
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7QWG
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7QWL
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5CHE
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4AW5
 | | Complex of the EphB4 kinase domain with an oxindole inhibitor | | Descriptor: | (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4 | | Authors: | Till, J.H, Stout, T.J. | | Deposit date: | 2012-05-31 | | Release date: | 2012-08-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5BW0
 | | The crystal structure of minor pseudopilin binary complex of XcpV and XcpW from the Type 2 secretion system of Pseudomonas aeruginosa | | Descriptor: | SULFATE ION, Type II secretion system protein I, Type II secretion system protein J | | Authors: | Zhang, Y, Faucher, F, Poole, K, Jia, Z. | | Deposit date: | 2015-06-05 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided disruption of the pseudopilus tip complex inhibits the Type II secretion in Pseudomonas aeruginosa.
PLoS Pathog., 14, 2018
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6M1J
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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6M1S
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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5U5S
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7CM9
 | | DMSP lyase DddX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2020-07-25 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
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5GNE
 | | Crystal structure of LapB from Legionella pneumophila | | Descriptor: | Leucine aminopeptidase, SULFATE ION, ZINC ION | | Authors: | Zhang, N, Ge, H. | | Deposit date: | 2016-07-20 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure and Biochemical Characterization of an Aminopeptidase LapB from Legionella pneumophila.
J. Agric. Food Chem., 65, 2017
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7BPU
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7C81
 | | E30 F-particle in complex with 6C5 | | Descriptor: | Heavy chain, Light chain, SPHINGOSINE, ... | | Authors: | Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-05-28 | | Release date: | 2020-07-29 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
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