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7VF2
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BU of 7vf2 by Molmil
Human m6A-METTL associated complex (WTAP, VIRMA, ZC3H13, and HAKAI)
分子名称: Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog, Zinc finger CCCH domain-containing protein 13
著者Su, S, Li, S, Deng, T, Gao, M, Yin, Y, Wu, B, Peng, C, Liu, J, Ma, J, Zhang, K.
登録日2021-09-10
公開日2022-09-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of human m6A writer complexes.
Cell Res., 32, 2022
6E5U
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BU of 6e5u by Molmil
Crystal structure of the mRNA export receptor NXF1/NXT1 in complex with influenza virus NS1 protein
分子名称: NTF2-related export protein 1, Non-structural protein 1, Nuclear RNA export factor 1
著者Xie, Y, Ren, Y.
登録日2018-07-23
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for influenza virus NS1 protein block of mRNA nuclear export.
Nat Microbiol, 4, 2019
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
分子名称: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
著者Lu, M.
登録日2023-01-21
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
7JSO
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BU of 7jso by Molmil
P. syringae AldA Indole-3-Acetaldehyde Dehydrogenase C302A mutant in complex with NAD+ and IAA
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1H-INDOL-3-YLACETIC ACID, Aldehyde dehydrogenase family protein
著者Jez, J.M.
登録日2020-08-15
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.848 Å)
主引用文献Investigating the reaction and substrate preference of indole-3-acetaldehyde dehydrogenase from the plant pathogen Pseudomonas syringae PtoDC3000.
Biosci.Rep., 40, 2020
6BG9
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HYBRID NMR/CRYO-EM STRUCTURE OF THE HIV-1 RNA DIMERIZATION SIGNAL
分子名称: RNA dimerization signal
著者Summers, M.F.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (9 Å), SOLUTION NMR
主引用文献Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR, and Molecular Dynamics Approach.
Structure, 26, 2018
7T32
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CryoEM structure of the adenosine 2A receptor-BRIL/Anti BRIL Fab complex with ZM241385
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 Fusion Protein
著者Zhang, K.H, Wu, H, Hoppe, N, Manglik, A, Cheng, Y.F.
登録日2021-12-06
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Fusion protein strategies for cryo-EM study of G protein-coupled receptors.
Nat Commun, 13, 2022
7W18
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Complex structure of alginate lyase PyAly with M5
分子名称: Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Liu, W.Z, Lyu, Q.Q, Zhang, K.K.
登録日2021-11-19
公開日2022-08-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements.
Commun Biol, 5, 2022
7W12
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Complex structure of alginate lyase AlyB-OU02 with G9
分子名称: Alginate lyase, SULFATE ION, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid
著者Liu, W.Z, Lyu, Q.Q, Zhang, K.K.
登録日2021-11-19
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements.
Commun Biol, 5, 2022
7W16
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Complex structure of alginate lyase AlyV with M8
分子名称: GLYCEROL, alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Liu, W.Z, Lyu, Q.Q, Li, Z.J, Zhang, K.K.
登録日2021-11-19
公開日2022-08-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements.
Commun Biol, 5, 2022
7W13
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Complex structure of alginate lyase PyAly with M8
分子名称: Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Liu, W.Z, Lyu, Q.Q, Li, Z.J, Zhang, K.K.
登録日2021-11-19
公開日2022-08-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Determination of oligosaccharide product distributions of PL7 alginate lyases by their structural elements.
Commun Biol, 5, 2022
3TKY
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BU of 3tky by Molmil
Monolignol o-methyltransferase (momt)
分子名称: (Iso)eugenol O-methyltransferase, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, S-ADENOSYL-L-HOMOCYSTEINE
著者Bhuiya, M.W, Liu, C.J.
登録日2011-08-29
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献An engineered monolignol 4-o-methyltransferase depresses lignin biosynthesis and confers novel metabolic capability in Arabidopsis.
Plant Cell, 24, 2012
7WYG
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BU of 7wyg by Molmil
Crystal structure of P450BSbeta-L78I/Q85H/G290I variant in complex with palmitic acid.
分子名称: Cytochrome P450 152A1, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Li, F, He, C, Wang, X.
登録日2022-02-16
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids.
Angew.Chem.Int.Ed.Engl., 61, 2022
6DQ4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQD
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献To be determined
To Be Published
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQE
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献To be determined
To Be Published
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
著者Zhang, Y, Zhang, X, Rao, F, Wang, C.
登録日2019-11-20
公開日2021-03-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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Cryo-EM structure of apo MlaFEDB
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY4
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Cryo-EM structure of MlaFEDB in complex with ADP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
4R7H
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BU of 4r7h by Molmil
Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397
分子名称: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y, Zhang, K, Zhang, C.
登録日2014-08-27
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8001 Å)
主引用文献Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor.
N Engl J Med, 373, 2015
4XNW
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BU of 4xnw by Molmil
The human P2Y1 receptor in complex with MRS2500
分子名称: P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
著者Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
登録日2015-01-16
公開日2015-04-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
4XNV
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The human P2Y1 receptor in complex with BPTU
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ...
著者Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR)
登録日2015-01-16
公開日2015-04-01
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
7KDT
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Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020

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