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8J9Z
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BU of 8j9z by Molmil
cryo-EM structure of viral topoisomerase in conformation 2
分子名称: DNA topoisomerase 2
著者Deng, Z.
登録日2023-05-05
公開日2023-08-16
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Cryo-EM structures of African swine fever virus topoisomerase.
Mbio, 14, 2023
8J9Y
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BU of 8j9y by Molmil
cryo-EM structure of viral topoisomerase in conformation 1
分子名称: DNA topoisomerase 2
著者Deng, Z.
登録日2023-05-05
公開日2023-08-16
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Cryo-EM structures of African swine fever virus topoisomerase.
Mbio, 14, 2023
5XS9
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BU of 5xs9 by Molmil
Crystal structure of Mycobacterium smegmatis BioQ
分子名称: TetR family transcriptional regulator
著者Zhang, Y, Ji, Q, Feng, Y.
登録日2017-06-13
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of BioQ suggests a distinct regulatory mechanism for biotin, a nutritional virulence factor in Mycobacterium
To Be Published
1FHT
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BU of 1fht by Molmil
RNA-BINDING DOMAIN OF THE U1A SPLICEOSOMAL PROTEIN U1A117, NMR, 43 STRUCTURES
分子名称: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
著者Allain, F.H.-T, Gubser, C.C, Howe, P.W.A, Nagai, K, Neuhaus, D, Varani, G.
登録日1996-02-21
公開日1996-07-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal RNP domain of U1A protein: the role of C-terminal residues in structure stability and RNA binding.
J.Mol.Biol., 257, 1996
5W8P
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BU of 5w8p by Molmil
Homoserine transacetylase MetX from Mycobacterium abscessus
分子名称: GLYCEROL, Homoserine O-acetyltransferase, PHOSPHATE ION, ...
著者Rodriguez, E.S, Reed, R.W, Korotkov, K.V.
登録日2017-06-22
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site.
Sci Rep, 9, 2019
5Y7R
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BU of 5y7r by Molmil
Quaternary complex of AsqJ-Fe3+-2OG-cyclopeptin
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ...
著者Liao, H.J, Lin, T.S.
登録日2017-08-17
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Insights into the Desaturation of Cyclopeptin and its C3 Epimer Catalyzed by a non-Heme Iron Enzyme: Structural Characterization and Mechanism Elucidation.
Angew. Chem. Int. Ed. Engl., 57, 2018
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
分子名称: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2017-06-13
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
5YUP
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BU of 5yup by Molmil
Crystal Structure of the Fab fragment of FVIIa antibody mAb4F5
分子名称: the heavy chain of the Fab fragment of FVIIa antibody mAb4F5, the light chain of the Fab fragment of FVIIa antibody mAb4F5
著者Jiang, L.G, Persson, E, Huang, M.D.
登録日2017-11-22
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure, epitope, and functional impact of an antibody against a superactive FVIIa provide insights into allosteric mechanism.
Res Pract Thromb Haemost, 3, 2019
5Y7T
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BU of 5y7t by Molmil
Quaternary complex of AsqJ-Fe3+-2OG-D-cyclopeptin
分子名称: (3R)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione, 2-OXOGLUTARIC ACID, FE (III) ION, ...
著者Liao, H.J.
登録日2017-08-18
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Insights into the Desaturation of Cyclopeptin and its C3 Epimer Catalyzed by a non-Heme Iron Enzyme: Structural Characterization and Mechanism Elucidation.
Angew. Chem. Int. Ed. Engl., 57, 2018
5ZB2
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BU of 5zb2 by Molmil
Crystal structure of Rad7 and Elc1 complex in yeast
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Jiang, T, Liu, L, Huo, Y.
登録日2018-02-09
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.30000544 Å)
主引用文献Crystal structure of the yeast Rad7-Elc1 complex and assembly of the Rad7-Rad16-Elc1-Cul3 complex.
DNA Repair (Amst.), 77, 2019
7BX8
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BU of 7bx8 by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state"
分子名称: Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein
著者Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
登録日2020-04-17
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
7BWR
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BU of 7bwr by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state"
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ...
著者Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
登録日2020-04-15
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
7CNL
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BU of 7cnl by Molmil
Crystal structure of TEAD3 in complex with VT105
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide, ...
著者Tang, T.T, Konradi, A.W.
登録日2020-08-01
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small Molecule Inhibitors of TEAD Auto-palmitoylation Selectively Inhibit Proliferation and Tumor Growth of NF2 -deficient Mesothelioma.
Mol.Cancer Ther., 20, 2021
7CIP
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BU of 7cip by Molmil
Microbial Hormone-sensitive lipase E53 wild type
分子名称: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Yang, X, Li, Z, Xu, X, Li, J.
登録日2020-07-08
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Microbial Hormone-sensitive lipase E53 wild type
To Be Published
7D9P
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BU of 7d9p by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12
分子名称: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9O
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Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
分子名称: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9Q
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BU of 7d9q by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7
分子名称: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Liu, Q.F, Yin, W.C.
登録日2020-10-14
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D2F
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BU of 7d2f by Molmil
Lp major histidine acid phosphatase mutant D281A/5'-AMP
分子名称: ADENOSINE MONOPHOSPHATE, Major acid phosphatase
著者Guo, Y, Teng, Y.
登録日2020-09-16
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 540, 2021
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
分子名称: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
著者Chen, Y.H, Qu, L.Z.
登録日2020-09-25
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7D5O
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C-Src in complex with TAS-120
分子名称: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
著者Qu, L.Z, Chen, Y.H.
登録日2020-09-27
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7DOQ
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BU of 7doq by Molmil
Lp major histidine acid phosphatase mutant D281A/5'-AMP
分子名称: Acid phosphatase, PHOSPHATE ION
著者Guo, Y, Teng, Y.
登録日2020-12-16
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 540, 2021
7BIP
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BU of 7bip by Molmil
Crystal structure of monooxygenase RslO1 from Streptomyces bottropensis
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhang, L, Zuo, C, Bechthold, A, Einsle, O.
登録日2021-01-12
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
Mol Biotechnol., 63, 2021
7BIO
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BU of 7bio by Molmil
Crystal structure of monooxygenase RslO4 from Streptomyces bottropensis
分子名称: ACETATE ION, ETHANOL, Monooxygenase/putative anthronoxygenase, ...
著者Zhang, L, Zuo, C, Alali, A, Bechthold, A, Einsle, O.
登録日2021-01-12
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
Mol Biotechnol., 63, 2021
7EN6
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BU of 7en6 by Molmil
The crystal structure of Escherichia coli MurR in apo form
分子名称: HTH-type transcriptional regulator MurR, PHOSPHATE ION
著者Zhang, Y, Chen, W, Ji, Q.
登録日2021-04-16
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.276 Å)
主引用文献Molecular basis for cell-wall recycling regulation by transcriptional repressor MurR in Escherichia coli.
Nucleic Acids Res., 50, 2022
7EN5
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The crystal structure of Escherichia coli MurR in complex with N-acetylglucosamine-6-phosphate
分子名称: 2-METHOXYETHANOL, 2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose, GLYCEROL, ...
著者Zhang, Y, Chen, W, Ji, Q.
登録日2021-04-16
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular basis for cell-wall recycling regulation by transcriptional repressor MurR in Escherichia coli.
Nucleic Acids Res., 50, 2022

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