7CNN
 
 | | vinorelbine in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, Y.X, Wu, C.Y. | | Deposit date: | 2020-08-02 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
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7CNO
 | | Phomopsin A in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-08-02 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
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7CNM
 | | YDX in complex with tubulin | | Descriptor: | (2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y.X, Wu, C.Y. | | Deposit date: | 2020-08-02 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
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3B2R
 | | Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil | | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K. | | Deposit date: | 2007-10-19 | | Release date: | 2008-05-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil.
Mol.Pharmacol., 73, 2008
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4MRB
 | | Wild Type Human Transthyretin pH 7.5 | | Descriptor: | CALCIUM ION, Transthyretin | | Authors: | Chen, W.J, Wood, S.P. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4MRC
 | | Human Transthyretin Ser52Pro Mutant | | Descriptor: | CALCIUM ION, Transthyretin | | Authors: | Chen, W.J, Wood, S.P. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6PBH
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8DI5
 | | Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6 | | Authors: | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S. | | Deposit date: | 2022-06-28 | | Release date: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
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6HPV
 | | Crystal structure of mouse fetuin-B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | | Authors: | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | | Deposit date: | 2018-09-22 | | Release date: | 2019-02-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
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5UEH
 | | Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate | | Descriptor: | 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ... | | Authors: | Mortenson, D.E, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2017-01-02 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
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3FI3
 | | Crystal structure of JNK3 with indazole inhibitor, SR-3737 | | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | | Authors: | Habel, J.E, Duckett, D, LoGrasso, P. | | Deposit date: | 2008-12-10 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
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3FI2
 | | Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 | | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | | Authors: | Habel, J.E. | | Deposit date: | 2008-12-10 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
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6J3O
 | | Crystal structure of the human PCAF bromodomain in complex with compound 12 | | Descriptor: | 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B | | Authors: | Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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6J3P
 | | Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n | | Descriptor: | 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A | | Authors: | Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y. | | Deposit date: | 2019-01-05 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
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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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8JPX
 | | Cryo-EM structure of PfAgo-guide DNA-target DNA complex | | Descriptor: | Excess DNA, Guide DNA, MAGNESIUM ION, ... | | Authors: | Zhuang, L. | | Deposit date: | 2023-06-13 | | Release date: | 2024-01-31 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular mechanism for target recognition, dimerization, and activation of Pyrococcus furiosus Argonaute.
Mol.Cell, 84, 2024
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6JGF
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6JGV
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7FH5
 | | Structure of AdaV | | Descriptor: | AdaV, CHLORIDE ION, FE (III) ION | | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | | Deposit date: | 2021-07-29 | | Release date: | 2022-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
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6J9O
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8K37
 | | Structure of the bacteriophage lambda neck | | Descriptor: | Head-tail connector protein FII, Tail tube protein, Tail tube terminator protein | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
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8K38
 | | The structure of bacteriophage lambda portal-adaptor | | Descriptor: | Head completion protein, Portal protein B | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
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8K39
 | | Structure of the bacteriophage lambda portal vertex | | Descriptor: | Major capsid protein, Portal protein B | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
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8K35
 | | Structure of the bacteriophage lambda tail tip complex | | Descriptor: | IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ... | | Authors: | Xiao, H, Tan, L, Cheng, L.P, Liu, H.R. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
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8K36
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