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8E59
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Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E5B
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Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E5A
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BU of 8e5a by Molmil
Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E57
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Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E56
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Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E58
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BU of 8e58 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
4Z0C
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Crystal structure of TLR13-ssRNA13 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ...
著者Song, W, Han, Z, Chai, J.
登録日2015-03-26
公開日2015-10-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
8HAY
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BU of 8hay by Molmil
d4-bound btDPP4
分子名称: (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4
著者Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
登録日2022-10-27
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7O7J
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Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
分子名称: Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
6X2J
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Structure of human TRPA1 in complex with agonist GNE551
分子名称: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Chen, H.
登録日2020-05-20
公開日2020-11-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel.
Neuron, 109, 2021
4X5Y
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Menin in complex with MI-503
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2014-12-06
公開日2015-04-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
4X5Z
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menin in complex with MI-136
分子名称: 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2014-12-06
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
分子名称: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
著者Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
登録日2022-11-21
公開日2023-02-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
8HNW
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BU of 8hnw by Molmil
Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA
分子名称: CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ...
著者Sun, W, Cheng, Z, Wang, Y.
登録日2022-12-08
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNS
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Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form
分子名称: GLYCEROL, anti-CRISPR protein AcrIIC4
著者Sun, W, Cheng, Z, Yang, J, Wang, Y.
登録日2022-12-08
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNT
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BU of 8hnt by Molmil
Crystal structure of anti-CRISPR protein AcrIIC4 bound to HpaCas9-sgRNA surveillance complex
分子名称: CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, sgRNA
著者Sun, W, Cheng, Z, Wang, Y.
登録日2022-12-08
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6XQR
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OXA-48 bound by Compound 2.2
分子名称: Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-07-10
公開日2021-12-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7LFM
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BU of 7lfm by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, TRICLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFL
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MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, MONOCLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFK
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MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, THR MUTANT, REFINED AT 1.60 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFJ
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MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, ALA MUTANT, REFINED AT 1.70 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFI
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BU of 7lfi by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE REFINED AT 1.70 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
6IIK
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USP14 catalytic domain with IU1
分子名称: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, He, W, Wang, F.
登録日2018-10-06
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
4TN2
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NS5b in complex with lactam-thiophene carboxylic acids
分子名称: 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein
著者Chopra, R.
登録日2014-06-02
公開日2014-09-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4TLR
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NS5b in complex with lactam-thiophene carboxylic acids
分子名称: 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b
著者Chopra, R.
登録日2014-05-30
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014

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