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8TNB
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BU of 8tnb by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
分子名称: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNC
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BU of 8tnc by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TND
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BU of 8tnd by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN6
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BU of 8tn6 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
分子名称: De novo designed protein, Rucaparib
著者Lu, L, DeGrado, W.F.
登録日2023-08-01
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8H12
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BU of 8h12 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Locked-2 Conformation
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, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.44681 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H15
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BU of 8h15 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.14182 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H14
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BU of 8h14 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x3 Disulfide (D414C and V969C), Locked-1 Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-10-19
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0X
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BU of 8h0x by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-1 Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H16
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BU of 8h16 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Open Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.35534 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H10
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BU of 8h10 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-2 Conformation
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, BILIVERDINE IX ALPHA, ...
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-10-19
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H13
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BU of 8h13 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-10-19
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0Y
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BU of 8h0y by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-112 Conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H11
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BU of 8h11 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Closed Conformation
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, Spike glycoprotein
著者Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
登録日2022-09-30
公開日2022-11-09
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
5Z8N
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BU of 5z8n by Molmil
Crystal structure of Arabidopsis thaliana EBS C-terminal deletion construct in complex with an H3K4me2 peptide
分子名称: Chromatin remodeling protein EBS, H3K4me2 peptide, ZINC ION
著者Yang, Z, Du, J.
登録日2018-01-31
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis.
Nat. Genet., 50, 2018
5Z8L
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BU of 5z8l by Molmil
crystal structure of Arabidopsis thaliana EBS in complex with an H3K27me3 peptide
分子名称: Chromatin remodeling protein EBS, H3K27me3 peptide, ZINC ION
著者Yang, Z, Du, J.
登録日2018-01-31
公開日2018-07-25
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis.
Nat. Genet., 50, 2018
8K4F
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BU of 8k4f by Molmil
DHODH in complex with compound A0
分子名称: 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ...
著者Jian, L, Sun, Q.
登録日2023-07-18
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
4E3C
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BU of 4e3c by Molmil
X-ray crystal structure of human IKK2 in an active conformation
分子名称: Inhibitor of nuclear factor kappa-B kinase subunit beta
著者Polley, S, Huang, D.B, Hauenstein, A.V, Ghosh, G, Huxford, T.
登録日2012-03-09
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献X-ray crystal structure of human IKK2 in an active conformation
Plos.Biol., 2013
5ZNP
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BU of 5znp by Molmil
Crystal structure of PtSHL in complex with an H3K4me3 peptide
分子名称: 15-mer peptide from Histone H3.2, SHORT LIFE family protein, ZINC ION
著者Lv, X, Du, J.
登録日2018-04-10
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
5ZNR
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BU of 5znr by Molmil
Crystal structure of PtSHL in complex with an H3K27me3 peptide
分子名称: 17-mer peptide from Histone H3.2, SHORT LIFE family protein, SULFATE ION, ...
著者Lv, X, Du, J.
登録日2018-04-10
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
7UBU
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BU of 7ubu by Molmil
Crystal structure of ZMET2 in complex with hemimethylated CAG DNA and a histone H3Kc9me2 peptide
分子名称: 5MC SSDNA, C49 SSDNA, DNA (cytosine-5)-methyltransferase 1, ...
著者Fang, J, Song, J.
登録日2022-03-15
公開日2022-06-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mechanistic basis for maintenance of CHG DNA methylation in plants.
Nat Commun, 13, 2022
3GAD
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BU of 3gad by Molmil
Structure of apomif
分子名称: ACETIC ACID, Macrophage migration inhibitory factor-like protein, SULFATE ION
著者Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H.
登録日2009-02-17
公開日2009-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
3GAC
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BU of 3gac by Molmil
Structure of mif with HPP
分子名称: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, Macrophage migration inhibitory factor-like protein, ...
著者Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H.
登録日2009-02-17
公開日2009-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
4FSX
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BU of 4fsx by Molmil
crystal structure of Se-substituted Zea mays ZMET2 in complex with SAH
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Du, J, Patel, D.J.
登録日2012-06-27
公開日2012-10-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
4FT4
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BU of 4ft4 by Molmil
crystal structure of Zea mays ZMET2 in complex H3(1-32)K9me2 peptide and SAH
分子名称: DNA (cytosine-5)-methyltransferase 1, H3(1-32)K9me2 peptide, S-ADENOSYL-L-HOMOCYSTEINE
著者Du, J, Patel, D.J.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
4FT2
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BU of 4ft2 by Molmil
crystal structure of Zea mays ZMET2 in complex H3(1-15)K9me2 peptide and SAH
分子名称: DNA (cytosine-5)-methyltransferase 1, H3 peptide, S-ADENOSYL-L-HOMOCYSTEINE
著者Du, J, Patel, D.J.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012

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件を2024-06-12に公開中

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