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5QJ1
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BU of 5qj1 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide
分子名称: 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-dependent RNA polymerase, ...
著者Sheriff, S.
登録日2018-08-13
公開日2018-11-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5QJ0
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BU of 5qj0 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
分子名称: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Sheriff, S.
登録日2018-08-13
公開日2018-11-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
4ZP0
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BU of 4zp0 by Molmil
Crystal structure of E. coli multidrug transporter MdfA in complex with deoxycholate
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA
著者Zhang, X.C, Heng, J, Zhao, Y, Wang, X.
登録日2015-05-07
公開日2015-08-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Cell Res., 25, 2015
4ZOW
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Crystal structure of E. coli multidrug transporter MdfA in complex with chloramphenicol
分子名称: CHLORAMPHENICOL, Multidrug transporter MdfA
著者Zhang, X.C, Heng, J, Zhao, Y, Wang, X.
登録日2015-05-07
公開日2015-08-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Cell Res., 25, 2015
4ZP2
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BU of 4zp2 by Molmil
Crystal structure of E. coli multidrug transporter MdfA in complex with n-dodecyl-N,N-dimethylamine-N-oxide
分子名称: LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA
著者Zhang, X.C, Heng, J, Zhao, Y, Wang, X.
登録日2015-05-07
公開日2015-08-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Cell Res., 25, 2015
6TOF
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BU of 6tof by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 4
分子名称: 1,2-ETHANEDIOL, 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOK
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BU of 6tok by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 23d
分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TON
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BU of 6ton by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 25b
分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOI
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BU of 6toi by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11f
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOO
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BU of 6too by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11a
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
5GON
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BU of 5gon by Molmil
Structures of a beta-lactam bridged analogue in complex with tubulin
分子名称: (3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Zhou, L, Liu, Y, Cheng, L, Wang, Y.
登録日2016-07-28
公開日2017-03-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Potent Antitumor Activities and Structure Basis of the Chiral beta-Lactam Bridged Analogue of Combretastatin A-4 Binding to Tubulin.
J. Med. Chem., 59, 2016
4U68
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BU of 4u68 by Molmil
Crystal structure of Rhino chromodomain in complex with H3K9me3
分子名称: H3K9me3, Rhino
著者Yu, B.W, Huang, Y.
登録日2014-07-28
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Rhino-mediated germline piRNA cluster formation
Cell Res., 25, 2015
6JEA
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BU of 6jea by Molmil
crystal structure of a beta-N-acetylhexosaminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ZINC ION
著者Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
登録日2019-02-04
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.275 Å)
主引用文献Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6JOX
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BU of 6jox by Molmil
triosephosphate isomerase-scylla paramamosain
分子名称: Triosephosphate isomerase
著者Xia, F, Jin, T.
登録日2019-03-25
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal Structure Analysis and Conformational Epitope Mutation of Triosephosphate Isomerase, a Mud Crab Allergen.
J.Agric.Food Chem., 67, 2019
6JE8
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BU of 6je8 by Molmil
crystal structure of a beta-N-acetylhexosaminidase
分子名称: Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ...
著者Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
登録日2019-02-04
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6JEB
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BU of 6jeb by Molmil
crystal structure of a beta-N-acetylhexosaminidase
分子名称: ACETAMIDE, Beta-N-acetylhexosaminidase, ZINC ION
著者Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
登録日2019-02-05
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
分子名称: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
著者Song, G, Xu, S.
登録日2022-08-06
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
8BON
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BU of 8bon by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the macrocyclic peptide S1B3inL1
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, Macrocyclic peptide S1B3inL1, ...
著者Hurdiss, D.L.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A broad-spectrum macrocyclic peptide inhibitor of the SARS-CoV-2 spike protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
7MD4
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BU of 7md4 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists
分子名称: Insulin B chain, Insulin chain A, Isoform Short of Insulin receptor, ...
著者Gomez-Llorente, Y, Zhou, H, Scapin, G.
登録日2021-04-03
公開日2022-02-23
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
7MD5
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BU of 7md5 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gomez-Llorente, Y, Zhou, H, Scapin, G.
登録日2021-04-03
公開日2022-02-23
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
著者Liu, J, Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
3LNZ
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BU of 3lnz by Molmil
Crystal structure of human MDM2 with a 12-mer peptide inhibitor PMI (N8A mutant)
分子名称: 12-mer peptide inhibitor, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
著者Pazgier, M, Lu, W.
登録日2010-02-03
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Systematic mutational analysis of peptide inhibition of the p53-MDM2/MDMX interactions.
J.Mol.Biol., 398, 2010
3LRY
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BU of 3lry by Molmil
Crystal structure of synthetic HIV-1 capsid C-terminal domain (CCA)
分子名称: HIV-1 capsid protein
著者Pazgier, M, Lu, W.
登録日2010-02-11
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Limitations of peptide retro-inverso isomerization in molecular mimicry.
J.Biol.Chem., 285, 2010
6L0X
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BU of 6l0x by Molmil
The First Tudor Domain of PHF20L1
分子名称: CITRIC ACID, GLYCEROL, PHD finger protein 20-like protein 1
著者Lv, M.Q, Gao, J.
登録日2019-09-27
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020

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