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7WR4
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Crystal structure of OspC3-calmodulin-caspase-4 complex
分子名称: Calmodulin-1, Caspase-4, OspC3
著者Hou, Y.J, Zeng, H, Shao, F, Ding, J.
登録日2022-01-26
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
2OY0
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BU of 2oy0 by Molmil
Crystal structure of the West Nile virus methyltransferase
分子名称: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Li, H.M, Zhao, Y.W, Guo, Y, Shi, P.Y.
登録日2007-02-21
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and Function of Flavivirus NS5 Methyltransferase.
J.Virol., 81, 2007
7YRZ
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BU of 7yrz by Molmil
Crystal structure of HCoV 229E main protease in complex with PF07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Zhou, Y.R, Zeng, P, Zhou, X.L, Lin, C, Zhang, J, Yin, X.S, Li, J.
登録日2022-08-11
公開日2023-08-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
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
7D9P
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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2023-11-29
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
8WKH
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BU of 8wkh by Molmil
Crystal structure of group 13 allergen from Blomia tropicalis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Fatty acid-binding protein
著者Zhu, K.L, Gong, Y, Cui, Y.B.
登録日2023-09-27
公開日2023-11-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Immunobiological properties and structure analysis of group 13 allergen from Blomia tropicalis and its IgE-mediated cross-reactivity.
Int.J.Biol.Macromol., 254, 2023
8BDB
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BU of 8bdb by Molmil
Ribulose-1,5-bisphosphate carboxylase/oxygenase from Griffithsia monilis
分子名称: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, BICARBONATE ION, ...
著者Andersson, I, Gunn, L.H.
登録日2022-10-19
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Grafting Rhodobacter sphaeroides with red algae Rubisco to accelerate catalysis and plant growth.
Nat.Plants, 9, 2023
7OYL
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BU of 7oyl by Molmil
Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate
分子名称: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F.
登録日2021-06-24
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
8IM6
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BU of 8im6 by Molmil
Crystal structure of HCoV 229E main protease in complex with PF07304814
分子名称: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zhou, Y.R, Zeng, P, Zhang, J, Li, J.
登録日2023-03-06
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
7U34
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BU of 7u34 by Molmil
The structure of phosphoglucose isomerase from Aspergillus fumigatus
分子名称: CHLORIDE ION, CITRATE ANION, GLYCEROL, ...
著者Yan, K, Kowalski, B, Fang, W, van Aalten, D.
登録日2022-02-25
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
5GT8
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BU of 5gt8 by Molmil
Crystal Structure of apo-CASTOR1
分子名称: GATS-like protein 3
著者Guo, L, Deng, D.
登録日2016-08-18
公開日2017-08-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of arginine sensor CASTOR1 in arginine-bound and ligand free states
Biochem. Biophys. Res. Commun., 508, 2019
5GT7
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Crystal Structure of Arg-bound CASTOR1
分子名称: ARGININE, GATS-like protein 3, MALONATE ION
著者Guo, L, Deng, D.
登録日2016-08-18
公開日2017-08-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.048 Å)
主引用文献Crystal structures of arginine sensor CASTOR1 in arginine-bound and ligand free states
Biochem. Biophys. Res. Commun., 508, 2019
2OIN
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BU of 2oin by Molmil
crystal structure of HCV NS3-4A R155K mutant
分子名称: NS4A peptide, Polyprotein, ZINC ION
著者Wei, Y.
登録日2007-01-11
公開日2007-06-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha.
J.Biol.Chem., 282, 2007
6KHO
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BU of 6kho by Molmil
Crystal structure of Oryza sativa TDC with PLP
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
登録日2019-07-16
公開日2020-07-15
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
6KHN
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BU of 6khn by Molmil
Crystal structure of Oryza sativa TDC with PLP and SEROTONIN
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
登録日2019-07-16
公開日2020-07-15
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
6KHP
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BU of 6khp by Molmil
Crystal structure of Oryza sativa TDC with PLP and tryptamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, ACETATE ION, CALCIUM ION, ...
著者Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
登録日2019-07-16
公開日2020-07-15
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
2RBF
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BU of 2rbf by Molmil
Structure of the ribbon-helix-helix domain of Escherichia coli PutA (PutA52) complexed with operator DNA (O2)
分子名称: Bifunctional protein putA, DNA (5'-D(*DTP*DT*DTP*DGP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DCP*DTP*DTP*DTP*DCP*DAP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DTP*DGP*DAP*DAP*DAP*DGP*DGP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DCP*DAP*DAP*DA)-3')
著者Tanner, J.J.
登録日2007-09-18
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of the transcriptional regulation of the proline utilization regulon by multifunctional PutA.
J.Mol.Biol., 381, 2008
3BR9
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BU of 3br9 by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
分子名称: (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2007-12-21
公開日2008-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
3BSC
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BU of 3bsc by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
分子名称: 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2007-12-23
公開日2008-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
3BSA
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BU of 3bsa by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
分子名称: 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2007-12-23
公開日2008-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
7JHY
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BU of 7jhy by Molmil
Type IV-B CRISPR Complex
分子名称: Csf2 (Cas7), Csf4 (Cas11), RNA (31-MER)
著者Bravo, J.P.K, Taylor, D.W.
登録日2020-07-21
公開日2021-03-31
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of a type IV CRISPR-Cas ribonucleoprotein complex.
Iscience, 24, 2021
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPO
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Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023

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