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8XQR
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BU of 8xqr by Molmil
Structure 2 of human class T GPCR TAS2R14-miniGs/gust complex with Flufenamic acid.
分子名称: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQO
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Structure of human class T GPCR TAS2R14-Gi complex with Aristolochic acid A.
分子名称: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQT
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BU of 8xqt by Molmil
Structure of human class T GPCR TAS2R14-Gi complex.
分子名称: CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hu, X.L, Pei, Y, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8YKY
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BU of 8yky by Molmil
Structure of human class T GPCR TAS2R14-Ggustducin complex with agonist 28.1
分子名称: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, G alpha gustducin protein, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-03-05
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
2MG9
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BU of 2mg9 by Molmil
Truncated EGF-A
分子名称: CALCIUM ION, Low-density lipoprotein receptor
著者Schroeder, C.I, Rosengren, K.
登録日2013-10-30
公開日2014-04-02
実験手法SOLUTION NMR
主引用文献Design and Synthesis of Truncated EGF-A Peptides that Restore LDL-R Recycling in the Presence of PCSK9 In Vitro.
Chem.Biol., 21, 2014
4ZH4
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BU of 4zh4 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRP18
分子名称: 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Feng, Y, Ebright, R.H.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.993 Å)
主引用文献Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
1H3H
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BU of 1h3h by Molmil
Structural Basis for Specific Recognition of an RxxK-containing SLP-76 peptide by the Gads C-terminal SH3 domain
分子名称: GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2
著者Liu, Q, Berry, D, Nash, P, Pawson, T, McGlade, C.J, Li, S.S.
登録日2002-09-03
公開日2003-03-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for Specific Binding of the Gads SH3 Domain to an Rxxk Motif-Containing Slp-76 Peptide: A Novel Mode of Peptide Recognition
Mol.Cell, 11, 2003
8HIF
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BU of 8hif by Molmil
One asymmetric unit of Singapore grouper iridovirus capsid
分子名称: Major capsid protein, Penton protein (VP14), VP137, ...
著者Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F.
登録日2022-11-20
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
著者Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
登録日2020-06-28
公開日2020-10-21
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7CMZ
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BU of 7cmz by Molmil
Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8
分子名称: DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ...
著者Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N.
登録日2020-07-29
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
6DMJ
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BU of 6dmj by Molmil
A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
1F2S
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BU of 1f2s by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY AT 1.8 A RESOLUTION
分子名称: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR A
著者Zhu, Y, Huang, Q, Qian, M, Jia, Y, Tang, Y.
登録日2000-05-29
公開日2000-06-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of the complex formed between bovine beta-trypsin and MCTI-A, a trypsin inhibitor of squash family, at 1.8-A resolution.
J.Protein Chem., 18, 1999
6Q9M
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BU of 6q9m by Molmil
Central Fibronectin-III array of RIM-binding protein
分子名称: PHOSPHATE ION, RIM-binding protein, isoform F
著者Driller, J.D, Habibi, S, Wahl, M.C, Loll, B.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.453 Å)
主引用文献RIM-binding protein couples synaptic vesicle recruitment to release sites.
J.Cell Biol., 219, 2020
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Fu, Z, Huang, H.
登録日2020-07-11
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
7CAL
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BU of 7cal by Molmil
Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1
著者Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L.
登録日2020-06-09
公開日2020-07-29
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
分子名称: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX2
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Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3
分子名称: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
7BW6
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BU of 7bw6 by Molmil
Varicella-zoster virus capsid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Wang, P.Y, Qi, J.X, Liu, C.C, Sun, J.Q.
登録日2020-04-13
公開日2020-09-23
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of the varicella-zoster virus A-capsid.
Nat Commun, 11, 2020
7CVN
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BU of 7cvn by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
著者Wang, X, Zhou, J, Xu, B.
登録日2020-08-26
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design,synthesis,biological evaluation and binding mode analysis of 7-nitro-indole-N-acylarylsulfonamide-based fructose-1,6-bisphosphatase inhibitors
Chinese journal of medicinal chemistry, 30, 2020
6P5S
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HIPK2 kinase domain bound to CX-4945
分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2
著者Agnew, C, Liu, L, Jura, N.
登録日2019-05-30
公開日2019-07-31
最終更新日2019-09-25
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
J.Biol.Chem., 294, 2019
6GSY
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FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSV
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FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
分子名称: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
著者Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
登録日1996-01-26
公開日1996-11-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996

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