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7DUP
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BU of 7dup by Molmil
Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Zhang, Z, He, Y, Jin, Y.
登録日2021-01-10
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DVA
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BU of 7dva by Molmil
Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc
分子名称: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL
著者Zhang, Z, He, Y, Jin, Y.
登録日2021-01-13
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
6AVS
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BU of 6avs by Molmil
Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA)
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION
著者Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
登録日2017-09-04
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
7DVB
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BU of 7dvb by Molmil
D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate
分子名称: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
著者Zhang, Z, He, Y, Jin, Y.
登録日2021-01-13
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
2JTC
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BU of 2jtc by Molmil
3D structure and backbone dynamics of SPE B
分子名称: Streptopain
著者Chuang, W, Wang, C, Houng, H, Chen, C, Wang, P.
登録日2007-07-26
公開日2008-08-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of streptopain: insight into diverse substrate specificity.
J.Biol.Chem., 284, 2009
6AX3
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BU of 6ax3 by Molmil
Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA)
分子名称: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ...
著者Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
登録日2017-09-06
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
7XJG
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BU of 7xjg by Molmil
Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom
分子名称: DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ...
著者Wang, Y.J, Guan, Z.Y, Zou, T.T.
登録日2022-04-17
公開日2022-09-14
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
6WEQ
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BU of 6weq by Molmil
DENV1 NS1 in complex with neutralizing 2B7 Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ...
著者Akey, D.L, Smith, J.L.
登録日2020-04-02
公開日2020-12-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
6LXT
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BU of 6lxt by Molmil
Structure of post fusion core of 2019-nCoV S2 subunit
分子名称: Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION
著者Zhu, Y, Sun, F.
登録日2020-02-11
公開日2020-02-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion.
Cell Res., 30, 2020
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
9GC6
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BU of 9gc6 by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
分子名称: 1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2024-08-01
公開日2025-02-12
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
9GC5
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BU of 9gc5 by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
分子名称: 1-[2-[5-(1,3-benzoxazol-4-yl)-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor, SULFATE ION
著者Hargreaves, D.
登録日2024-08-01
公開日2025-02-12
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (1.909 Å)
主引用文献Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
9GC4
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BU of 9gc4 by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
分子名称: 1-[2-[3-(3-chloranyl-6-fluoranyl-pyridin-2-yl)oxyphenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2024-08-01
公開日2025-02-12
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
9GDV
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BU of 9gdv by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations
分子名称: Epidermal growth factor receptor, SULFATE ION, ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
著者Hargreaves, D.
登録日2024-08-06
公開日2025-02-12
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.218 Å)
主引用文献Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
7VZG
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BU of 7vzg by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form)
分子名称: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
著者Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
登録日2021-11-16
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
5J3F
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BU of 5j3f by Molmil
NMR solution structure of [Rp, Rp]-PT dsDNA
分子名称: DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3')
著者Lan, W, Hu, Z, Cao, C.
登録日2016-03-30
公開日2016-11-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
2H5E
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BU of 2h5e by Molmil
Crystal structure of E.coli polypeptide release factor RF3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor RF-3
著者Song, H.W, Zhou, Z.H.
登録日2006-05-26
公開日2007-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RF3 induces ribosomal conformational changes responsible for dissociation of class I release factors
Cell(Cambridge,Mass.), 129, 2007
5J3G
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BU of 5j3g by Molmil
Solution NMR structure of PT-free dsDNA from Streptomyces lividans
分子名称: DNA (5'-D(*CP*GP*GP*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*GP*CP*CP*G)-3')
著者Lan, W, Cao, C.
登録日2016-03-30
公開日2016-06-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
2HJD
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BU of 2hjd by Molmil
Crystal structure of a second quorum sensing antiactivator TraM2 from A. tumefaciens strain A6
分子名称: Quorum-sensing antiactivator
著者Chen, L.
登録日2006-06-30
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure and Mechanism of TraM2, a Second Quorum-Sensing Antiactivator of Agrobacterium tumefaciens Strain A6.
J.Bacteriol., 188, 2006
7RZU
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BU of 7rzu by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation
分子名称: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZS
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BU of 7rzs by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation
分子名称: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZR
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BU of 7rzr by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation
分子名称: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2'
著者Yang, K, Brunger, A.T.
登録日2021-08-27
公開日2022-04-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
8WJH
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BU of 8wjh by Molmil
Cryo-EM structure of OAT4
分子名称: CHLORIDE ION, Solute carrier family 22 member 11
著者Qian, H.W, He, J.J.
登録日2023-09-26
公開日2024-08-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024

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