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6CHZ
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BU of 6chz by Molmil
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
分子名称: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor
著者Larsen, N.A.
登録日2018-02-23
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
5UZ6
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RNA hairpin structure containing 2-MeImp-oligo analogue
分子名称: RNA (25-MER), RNA (5'-D(*(8OS))-R(P*CP*AP*CP*CP*UP*CP*A)-3')
著者Zhang, W, Oh, S.S, Szostak, J.W.
登録日2017-02-24
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
分子名称: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
著者Skene, R.J.
登録日2017-03-05
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
8ILQ
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BU of 8ilq by Molmil
Structure of SFTSV Gn-Gc heterodimer
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, Envelopment polyprotein
著者Du, S, Peng, R, Qi, J, Li, C.
登録日2023-03-04
公開日2023-09-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
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, Envelopment polyprotein
著者Du, S, Peng, R, Qi, J, Li, C.
登録日2023-01-21
公開日2023-09-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
5VCF
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RNA hairpin structure containing tetraloop/receptor motif, complexed with 2-MeImpG analogue
分子名称: 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*CP*CP*CP*GP*AP*AP*AP*GP*G)-3')
著者Zhang, W, Szostak, J.W.
登録日2017-03-31
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
4RBX
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BU of 4rbx by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Glu21Arg mutant)
分子名称: Defensin-5, SULFATE ION
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-09-13
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
5DI1
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BU of 5di1 by Molmil
MAP4K4 in complex with an inhibitor
分子名称: 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4
著者Liu, S.
登録日2015-08-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
5UX3
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RNA hairpin structure containing 2-MeImpG monomer analogue and 2-MeImp-oligomer analogue
分子名称: 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, RNA (25-MER), RNA (5'-D(*(RG))-R(P*CP*AP*CP*CP*UP*CP*A)-3')
著者Zhang, W, Oh, S.S, Szostak, J.W.
登録日2017-02-21
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
2IRW
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BU of 2irw by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor
分子名称: (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Longenecker, K.L, Patel, J.R, Russell, J, Qin, W.
登録日2006-10-16
公開日2007-01-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
6JE9
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BU of 6je9 by Molmil
Crystal structure of Nme1Cas9-sgRNA dimer mediated by double protein inhibitor AcrIIC3 monomers
分子名称: AcrIIC3, CRISPR-associated endonuclease Cas9, sgRNA
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-04
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
8IG4
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BU of 8ig4 by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with GC376
分子名称: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG5
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Crystal structure of SARS main protease in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG6
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Crystal structure of MERS main protease in complex with GC376
分子名称: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG8
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Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG7
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Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zeng, P, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG9
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Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zou, X.F, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGB
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BU of 8igb by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Li, W.W, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
6HHO
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BU of 6hho by Molmil
Crystal structure of RIP1 kinase in complex with GSK547
分子名称: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
著者Thorpe, J.H, Harris, P.A.
登録日2018-08-28
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
6IEB
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BU of 6ieb by Molmil
Structure of RVFV Gn and human monoclonal antibody R15
分子名称: NSmGnGc, R15 H chain, R15 L chain
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-13
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
7T1Y
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Structure of the Fbw7-Skp1-MycCdegron complex
分子名称: F-box/WD repeat-containing protein 7, Myc proto-oncogene protein C terminal degron, S-phase kinase-associated protein 1, ...
著者Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
登録日2021-12-02
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
7T1Z
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Structure of the Fbw7-Skp1-MycNdegron complex
分子名称: F-box/WD repeat-containing protein 7, Myc proto-oncogene N terminal degron, S-phase kinase-associated protein 1, ...
著者Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
登録日2021-12-02
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
6IMM
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BU of 6imm by Molmil
Cryo-EM structure of an alphavirus, Sindbis virus
分子名称: Assembly protein E3, Octadecane, Spike glycoprotein E1, ...
著者Zhang, X, Ma, J, Chen, L.
登録日2018-10-23
公開日2019-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Implication for alphavirus host-cell entry and assembly indicated by a 3.5 angstrom resolution cryo-EM structure.
Nat Commun, 9, 2018
2ILT
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BU of 2ilt by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor
分子名称: 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T.
登録日2006-10-03
公開日2007-04-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3EMG
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BU of 3emg by Molmil
Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK)
分子名称: 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide, Tyrosine-protein kinase SYK
著者Ter Haar, E.
登録日2008-09-24
公開日2008-12-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK).
Bioorg.Med.Chem.Lett., 18, 2008

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