8IX3
| Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | Descriptor: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | Authors: | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | Deposit date: | 2023-03-31 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant. J.Virol., 97, 2023
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3DTW
| Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor | Descriptor: | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-07-16 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of amido-benzisoxazoles as potent c-Kit inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3CP9
| Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | Descriptor: | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-03-31 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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3CPB
| Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor | Descriptor: | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-03-31 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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3BYM
| X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | Descriptor: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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3BYO
| X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | Descriptor: | 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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7JKT
| Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core from strain d45-01dG5, ... | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | Deposit date: | 2020-07-28 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth. Immunity, 54, 2021
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7JKS
| Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ... | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | Deposit date: | 2020-07-28 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth. Immunity, 54, 2021
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7T5U
| Structure of E. coli MS115-1 CapH N-terminal domain | Descriptor: | Helix-turn-helix domain-containing protein, SULFATE ION | Authors: | Lau, R.K, Corbett, K.D. | Deposit date: | 2021-12-13 | Release date: | 2022-09-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage. Embo J., 41, 2022
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7T5V
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7T5T
| Structure of Thauera sp. K11 CapP | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CapP toxin, SULFATE ION, ... | Authors: | Lau, R.K, Corbett, K.D. | Deposit date: | 2021-12-13 | Release date: | 2022-09-14 | Last modified: | 2022-11-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage. Embo J., 41, 2022
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7T5W
| Structure of E. coli CapH C-terminal domain | Descriptor: | Helix-turn-helix domain-containing protein | Authors: | Lau, R.K, Corbett, K.D. | Deposit date: | 2021-12-13 | Release date: | 2022-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage. Embo J., 41, 2022
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6CZS
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8GTD
| Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex | Descriptor: | Head-to-tail joining protein, Portal protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTA
| Cryo-EM structure of the marine siphophage vB_Dshs-R4C capsid | Descriptor: | Major capsid protein | Authors: | Sun, H, Huang, Y, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-07 | Release date: | 2023-07-12 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTB
| Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein | Descriptor: | Major tail protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTF
| Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex | Descriptor: | Head-to-tail joining protein, Major tail protein, Terminator protein | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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8GTC
| Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex | Descriptor: | Distal tail protein, Hub protein, Major tail protein, ... | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage. Nat Commun, 14, 2023
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6J1O
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6J46
| LepI-SAH complex structure | Descriptor: | O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Qiu, S, Wei, C. | Deposit date: | 2019-01-08 | Release date: | 2019-05-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.621 Å) | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme. Signal Transduct Target Ther, 4, 2019
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3O50
| Crystal structure of benzamide 9 bound to AuroraA | Descriptor: | N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | Authors: | Huang, X. | Deposit date: | 2010-07-27 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
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6PJV
| Structure of Human Sonic Hedgehog in complex with Zinc and Magnesium | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Bonn-Breach, R.B, Jenkins, J.L, Wedekind, J.E. | Deposit date: | 2019-06-28 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structure of Sonic Hedgehog protein in complex with zinc(II) and magnesium(II) reveals ion-coordination plasticity relevant to peptide drug design. Acta Crystallogr D Struct Biol, 75, 2019
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6J24
| Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate | Descriptor: | (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Qiu, S, Wei, C. | Deposit date: | 2018-12-30 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme. Signal Transduct Target Ther, 4, 2019
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3O51
| Crystal structure of anthranilamide 10 bound to AuroraA | Descriptor: | N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | Authors: | Huang, X. | Deposit date: | 2010-07-27 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
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4N4R
| Structure basis of lipopolysaccharide biogenesis | Descriptor: | CACODYLATE ION, LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ... | Authors: | Dong, H, Xiang, Q, Wang, Z, Paterson, N.G, He, C, Zhang, Y, Wang, W, Dong, C. | Deposit date: | 2013-10-08 | Release date: | 2014-06-25 | Last modified: | 2014-07-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for outer membrane lipopolysaccharide insertion. Nature, 511, 2014
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