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6A85
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Crystal structure of a novel DNA quadruplex
分子名称: AMMONIUM ION, DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*GP*GP*GP*TP*GP*CP*GP*TP*T)-3'), LEAD (II) ION, ...
著者Liu, H.H, Gan, J.H.
登録日2018-07-06
公開日2019-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-resolution DNA quadruplex structure containing all the A-, G-, C-, T-tetrads.
Nucleic Acids Res., 46, 2018
7DNH
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BU of 7dnh by Molmil
2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 2H3
分子名称: Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of 2H3 Fab fragment
著者He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S.
登録日2020-12-09
公開日2020-12-30
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
7DNK
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2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9
分子名称: Major capsid protein L1, The heavy chain of 5G9 Fab fragment, The light chain of 5G9 Fab fragment
著者He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S.
登録日2020-12-09
公開日2020-12-30
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (6.41 Å)
主引用文献Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
5DRT
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BU of 5drt by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
分子名称: 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Scheufler, C, Gaul, C, Be, C, Moebitz, H.
登録日2015-09-16
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5EBT
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BU of 5ebt by Molmil
Tankyrase 1 with Phthalazinone 2
分子名称: (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ...
著者Kazmirski, S.L, Johannes, J.
登録日2015-10-19
公開日2016-03-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
5XK1
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BU of 5xk1 by Molmil
Structure of 8-mer DNA3
分子名称: DNA (5'-D(*GP*GP*AP*GP*CP*CP*CP*C)-3')
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs.
Angew. Chem. Int. Ed. Engl., 56, 2017
5W0T
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BU of 5w0t by Molmil
Crystal structure of monomeric Msp1 from S. cerevisiae
分子名称: 1,2-ETHANEDIOL, Protein MSP1
著者Keenan, R.J, Wohlever, M.L, Mateja, A.M.
登録日2017-05-31
公開日2017-08-02
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Msp1 Is a Membrane Protein Dislocase for Tail-Anchored Proteins.
Mol. Cell, 67, 2017
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
6J1U
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BU of 6j1u by Molmil
influenza virus nucleoprotein with a specific inhibitor
分子名称: Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
著者Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle.
J.Virol., 95, 2021
7JUP
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BU of 7jup by Molmil
Structure of human TRPA1 in complex with antagonist compound 21
分子名称: 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L.
登録日2020-08-20
公開日2021-03-31
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.
J.Med.Chem., 64, 2021
8I4W
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BU of 8i4w by Molmil
Cryo-EM structure of 5-subunit Smc5/6 head region
分子名称: DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ...
著者Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-21
公開日2024-06-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.01 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8I21
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Cryo-EM structure of 6-subunit Smc5/6 arm region
分子名称: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
著者Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
登録日2023-01-13
公開日2024-06-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.02 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8I13
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Cryo-EM structure of 6-subunit Smc5/6
分子名称: MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ...
著者Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-12
公開日2024-06-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8I4X
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BU of 8i4x by Molmil
Cryo-EM structure of 5-subunit Smc5/6
分子名称: E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ...
著者Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-21
公開日2024-06-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
7T62
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GPC2 HEP CT3 complex
分子名称: CT3, Glypican-2
著者Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M.
登録日2021-12-13
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (21 Å)
主引用文献CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
8SBG
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BU of 8sbg by Molmil
Crystal structure of B. theta tryptophanase in holo form
分子名称: PYRIDOXAL-5'-PHOSPHATE, Tryptophanase
著者Graboski, A.L, Redinbo, M.R.
登録日2023-04-03
公開日2023-08-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SIJ
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BU of 8sij by Molmil
Crystal structure of F. varium tryptophanase
分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
著者Graboski, A.L, Redinbo, M.R.
登録日2023-04-16
公開日2023-08-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
2Z8O
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BU of 2z8o by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
分子名称: 27.5 kDa virulence protein, L(+)-TARTARIC ACID
著者Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
登録日2007-09-07
公開日2007-12-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
5TO8
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BU of 5to8 by Molmil
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency
分子名称: 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one, Protein-tyrosine kinase 2-beta
著者Newby, Z.E.
登録日2016-10-17
公開日2016-12-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9849 Å)
主引用文献Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.
Bioorg. Med. Chem. Lett., 26, 2016
8A6O
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BU of 8a6o by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 600 fs after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6S
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BU of 8a6s by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 1 microsecond after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-19
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6N
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BU of 8a6n by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 300 fs after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6R
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BU of 8a6r by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 100 ps after Photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6G
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BU of 8a6g by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore in the non-fluorescent OFF-state
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-17
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6P
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BU of 8a6p by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 900 fs after photoexcitation
分子名称: Green fluorescent protein
著者Fadini, A, van Thor, J.
登録日2022-06-18
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023

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