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7CQH
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BU of 7cqh by Molmil
Complex of TRP_CBS2 and Calmodulin_Clobe
分子名称: AT15141p, CALCIUM ION, Transient receptor potential protein
著者Shen, Z.S.
登録日2020-08-10
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
7CQV
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BU of 7cqv by Molmil
Complex of TRP_CBS1 and Calmodulin_Nlobe
分子名称: AT15141p, CALCIUM ION, Transient receptor potential protein
著者Shen, Z.S.
登録日2020-08-11
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
8UTL
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BU of 8utl by Molmil
Bovine trypsin in complex with Thr3Dap mutated microviridin J
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Chen, W, Bruner, S.D.
登録日2023-10-31
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
8UO7
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BU of 8uo7 by Molmil
Bovine trypsin in complex with deacetylated wild type microviridin J
分子名称: CALCIUM ION, Cationic trypsin, Deacetylated wildtype microviridin J, ...
著者Chen, W, Bruner, S.D.
登録日2023-10-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
6YVC
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BU of 6yvc by Molmil
Crystal structure of the small alarmone hydrolase (SAH) of Pseudomonas aeruginosa
分子名称: Bifunctional (P)ppGpp synthetase/guanosine-3',5'-bis(Diphosphate) 3'-pyrophosphohydrolase, MANGANESE (II) ION
著者Altegoer, F, Bange, G.
登録日2020-04-28
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dual role of a (p)ppGpp- and (p)ppApp-degrading enzyme in biofilm formation and interbacterial antagonism.
Mol.Microbiol., 115, 2021
7CNN
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BU of 7cnn by Molmil
vinorelbine in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Wang, Y.X, Wu, C.Y.
登録日2020-08-02
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
7CNO
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BU of 7cno by Molmil
Phomopsin A in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Wu, C.Y, Wang, Y.X.
登録日2020-08-02
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
7CNM
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BU of 7cnm by Molmil
YDX in complex with tubulin
分子名称: (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, ...
著者Wang, Y.X, Wu, C.Y.
登録日2020-08-02
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
3B2R
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BU of 3b2r by Molmil
Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil
分子名称: 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
著者Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K.
登録日2007-10-19
公開日2008-05-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil.
Mol.Pharmacol., 73, 2008
4LWE
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BU of 4lwe by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2
分子名称: Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWI
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BU of 4lwi by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWF
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BU of 4lwf by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3
分子名称: 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWG
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BU of 4lwg by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4
分子名称: 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
6THP
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BU of 6thp by Molmil
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
著者Schiering, N, Wiesmann, C.
登録日2019-11-21
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
8I1V
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BU of 8i1v by Molmil
The asymmetric unit of P22 procapsid
分子名称: Major capsid protein, Scaffolding protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
8I1T
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BU of 8i1t by Molmil
The asymmetric unit of P22 empty capsid
分子名称: Major capsid protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
3N7Z
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BU of 3n7z by Molmil
Crystal structure of acetyltransferase from Bacillus anthracis
分子名称: Acetyltransferase, GNAT family, SODIUM ION
著者Chang, C, Wu, R, Gornicki, P, Zhang, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-05-27
公開日2010-06-16
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Biochemical and Structural Analysis of an Eis Family Aminoglycoside Acetyltransferase from Bacillus anthracis.
Biochemistry, 54, 2015
6DF1
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BU of 6df1 by Molmil
Anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody 4G10-4D5 heavy chain, Anti-phosphotyrosine antibody 4G10-4D5 light chain, LEU-PTR
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6DF2
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BU of 6df2 by Molmil
Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6NXE
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BU of 6nxe by Molmil
Cryo-EM Reconstruction of Protease-Activateable Adeno-Associated Virus 9 (AAV9-L001)
分子名称: Capsid protein VP1
著者Bennett, A.B, Agbandje-Mckenna, M.
登録日2019-02-08
公開日2019-03-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Protease-Activatable Adeno-Associated Virus Vector for Gene Delivery to Damaged Heart Tissue.
Mol. Ther., 27, 2019
8ZVI
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BU of 8zvi by Molmil
Structure of the bacteriophage T5 capsid
分子名称: Decoration protein, Major capsid protein
著者Peng, Y, Liu, H.R.
登録日2024-06-11
公開日2024-09-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
4AW5
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BU of 4aw5 by Molmil
Complex of the EphB4 kinase domain with an oxindole inhibitor
分子名称: (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
著者Till, J.H, Stout, T.J.
登録日2012-05-31
公開日2012-08-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
8DI5
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BU of 8di5 by Molmil
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)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
登録日2022-06-28
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献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
6PBH
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BU of 6pbh by Molmil
Crystal Structure of HLA-A*68:01 in complex with NP145-156, a 12 mer influenza peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-68 alpha chain, ...
著者Gras, S.
登録日2019-06-13
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Challenging immunodominance of influenza-specific CD8+T cell responses restricted by the risk-associated HLA-A*68:01 allomorph.
Nat Commun, 10, 2019

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