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6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-08-07
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
1R0C
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BU of 1r0c by Molmil
Products in the T State of Aspartate Transcarbamylase: Crystal Structure of the Phosphate and N-carbamyl-L-aspartate Ligated Enzyme
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-CARBAMOYL-L-ASPARTATE, ...
著者Huang, J, Lipscomb, W.N.
登録日2003-09-19
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Products in the T-State of Aspartate Transcarbamylase: Crystal Structure of the Phosphate and N-Carbamyl-l-aspartate Ligated Enzyme
Biochemistry, 43, 2004
1HEI
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BU of 1hei by Molmil
STRUCTURE OF THE HEPATITIS C VIRUS RNA HELICASE DOMAIN
分子名称: CALCIUM ION, HCV HELICASE
著者Yao, N, Weber, P.
登録日1997-03-31
公開日1998-10-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the hepatitis C virus RNA helicase domain.
Nat.Struct.Biol., 4, 1997
1GIK
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BU of 1gik by Molmil
POKEWEED ANTIVIRAL PROTEIN FROM SEEDS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIVIRAL PROTEIN S
著者Zeng, Z.H, He, X.L, Li, H.M, Hu, Z, Wang, D.C.
登録日2001-02-07
公開日2003-09-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of pokeweed antiviral protein with well-defined sugars from seeds at 1.8 angstrom resolution
J.Struct.Biol., 141, 2003
8WM9
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BU of 8wm9 by Molmil
Fzd4/DEP complex
分子名称: CHOLESTEROL HEMISUCCINATE, Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
著者He, Y, Qian, Y.
登録日2023-10-03
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
8WMA
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BU of 8wma by Molmil
Fzd4/DEP complex (local refined)
分子名称: Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
著者He, Y, Qian, Y.
登録日2023-10-03
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
7R97
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BU of 7r97 by Molmil
Crystal structure of postcleavge complex of Escherichia coli RNase III
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Dharavath, S, Shaw, G.X, Ji, X.
登録日2021-06-28
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Structural basis for Dicer-like function of an engineered RNase III variant and insights into the reaction trajectory of two-Mg 2+ -ion catalysis.
Rna Biol., 19, 2022
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
分子名称: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-13
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
6LLX
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BU of 6llx by Molmil
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, Glutathione S-transferase P
著者Ye, K, Li, H, Lei, K.C.
登録日2019-12-24
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
6LLC
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BU of 6llc by Molmil
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
分子名称: 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ...
著者Ye, K, Li, H.
登録日2019-12-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
7DMW
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BU of 7dmw by Molmil
Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens
分子名称: CITRATE ANION, CcpC
著者Chen, J, Wang, L, Shang, F, Liu, W, Chen, Y, Lan, J, Bu, T, Bai, X, Xu, Y.
登録日2020-12-08
公開日2021-10-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Functional and structural analysis of catabolite control protein C that responds to citrate.
Sci Rep, 11, 2021
6LN4
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BU of 6ln4 by Molmil
Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a
分子名称: 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-28
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
5ZJD
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BU of 5zjd by Molmil
Lactate dehydrogenase with NADH and MLA
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain, MALONATE ION
著者Han, C.W, Jang, S.B.
登録日2018-03-20
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
5ZJE
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BU of 5zje by Molmil
LDHA-mla
分子名称: L-lactate dehydrogenase A chain, MALONATE ION
著者Han, C.W, Jang, S.B.
登録日2018-03-20
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.929 Å)
主引用文献Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
5ZJF
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BU of 5zjf by Molmil
LDHA-MA
分子名称: 5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole), L-lactate dehydrogenase A chain
著者Han, C.W, Jang, S.B.
登録日2018-03-20
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
7YE9
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BU of 7ye9 by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YDY
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BU of 7ydy by Molmil
SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-04
公開日2022-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (4.75 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YEG
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BU of 7yeg by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2
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, Angiotensin-converting enzyme 2, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YDI
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BU of 7ydi by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-04
公開日2022-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YE5
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BU of 7ye5 by Molmil
SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs
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, Heavy chain of R1-32 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
登録日2022-07-05
公開日2022-08-24
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (6.75 Å)
主引用文献SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
8IOO
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BU of 8ioo by Molmil
Crystal structure of Deinococcus radiodurans RecJ-like protein in complex with Mg2+
分子名称: MAGNESIUM ION, RecJ-like protein, SULFATE ION
著者Cheng, K.
登録日2023-03-13
公開日2024-03-20
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional investigation of the DHH/DHHA1 family proteins in Deinococcus radiodurans.
Nucleic Acids Res., 52, 2024
8JC4
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BU of 8jc4 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine
分子名称: 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2023-05-10
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8JC3
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BU of 8jc3 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine
分子名称: 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2023-05-10
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
7YJF
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BU of 7yjf by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-20
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.515 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YD9
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BU of 7yd9 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023

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件を2024-10-16に公開中

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