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8EYK
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BU of 8eyk by Molmil
Atomic model of the core modifying region of human fatty acid synthase in complex with TVB-2640
分子名称: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, denifanstat
著者Hasan, S.M.N, Keszei, A, Mazhab-Jafari, M.T.
登録日2022-10-27
公開日2023-05-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Atomic model for core modifying region of human fatty acid synthase in complex with Denifanstat.
Nat Commun, 14, 2023
8EYI
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BU of 8eyi by Molmil
Atomic model of the core modifying region of human fatty acid synthase
分子名称: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hasan, S.M.N, Keszei, A, Mazhab-Jafari, M.T.
登録日2022-10-27
公開日2023-05-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Atomic model for core modifying region of human fatty acid synthase in complex with Denifanstat.
Nat Commun, 14, 2023
8HVA
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BU of 8hva by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound compound 14
分子名称: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
著者Takahashi, M, Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8FEG
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BU of 8feg by Molmil
CryoEM structure of Kappa Opioid Receptor bound to a semi-peptide and Gi1
分子名称: ACE-TYR-ALA-DTY-THR-THR-CYS-THR-DPN-XT9, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Fay, J.F, Che, T.
登録日2022-12-06
公開日2023-12-06
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Design and structural validation of peptide-drug conjugate ligands of the kappa-opioid receptor.
Nat Commun, 14, 2023
8GKC
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BU of 8gkc by Molmil
Atomic model of the core modifying region of human fatty acid synthase in complex with TVB-2640 - C2 refinement
分子名称: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, denifanstat
著者Hasan, S.M.N, Keszei, A, Mazhab-Jafari, M.T.
登録日2023-03-17
公開日2023-05-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Atomic model for core modifying region of human fatty acid synthase in complex with Denifanstat.
Nat Commun, 14, 2023
6LSV
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BU of 6lsv by Molmil
Crystal structure of JOX2 in complex with 2OG, Fe, and JA
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, Probable 2-oxoglutarate-dependent dioxygenase At5g05600, ...
著者Zhang, X, Wang, D, Liu, J.
登録日2020-01-20
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Structure-guided analysis of Arabidopsis JASMONATE-INDUCED OXYGENASE (JOX) 2 reveals key residues for recognition of jasmonic acid substrate by plant JOXs.
Mol Plant, 14, 2021
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
著者Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
登録日2022-09-11
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
7Z16
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BU of 7z16 by Molmil
E. coli C-P lyase bound to PhnK/PhnL dual ABC dimer with AMPPNP and PhnK E171Q mutation
分子名称: Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnI, ...
著者Amstrup, S.K, Sofus, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E.
登録日2022-02-24
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
7Z15
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BU of 7z15 by Molmil
E. coli C-P lyase bound to a PhnK/PhnL dual ABC dimer and ADP + Pi
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, ...
著者Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E.
登録日2022-02-24
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (1.93 Å)
主引用文献Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
4CAH
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BU of 4cah by Molmil
Structure of inner DysF domain of human dysferlin
分子名称: DYSFERLIN, PHOSPHATE ION
著者Sula, A, Cole, A.R, Yeats, C, Orengo, C, Keep, N.H.
登録日2013-10-08
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Crystal Structures of the Human Dysferlin Inner Dysf Domain
Bmc Struct.Biol., 14, 2014
4CAI
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BU of 4cai by Molmil
Structure of inner DysF domain of human dysferlin
分子名称: DYSFERLIN, PHOSPHATE ION
著者Sula, A, Cole, A.R, Yeats, C, Orengo, C, Keep, N.H.
登録日2013-10-08
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of the Human Dysferlin Inner Dysf Domain
Bmc Struct.Biol., 14, 2014
1IK1
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BU of 1ik1 by Molmil
Solution Structure of an RNA Hairpin from HRV-14
分子名称: 5'-R(*GP*GP*UP*AP*CP*UP*AP*UP*GP*UP*AP*CP*CP*A)-3'
著者Huang, H, Alexandrov, A, Chen, X, Barnes III, T.W, Zhang, H, Dutta, K, Pascal, S.M.
登録日2001-05-01
公開日2001-07-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of an RNA hairpin from HRV-14.
Biochemistry, 40, 2001
5EAH
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BU of 5eah by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Difenoconazole
分子名称: 1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, ...
著者Tyndall, J.D.A, Sabherwal, M, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
5EAG
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BU of 5eag by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Prochloraz
著者Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
5EAD
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BU of 5ead by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-desthio-prothioconazole
分子名称: (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
5EAE
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BU of 5eae by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-desthio-prothioconazole
分子名称: (2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
7BG6
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BU of 7bg6 by Molmil
HRV14 native particle solved by cryoEM
分子名称: Genome polyprotein, RNA-octamer (5'-R(P*UP*GP*UP*UP*UP*UP*UP*A)-3')
著者Hrebik, D, Fuzik, T, Plevka, P.
登録日2021-01-06
公開日2021-05-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BG7
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BU of 7bg7 by Molmil
HRV14 in complex with its receptor ICAM-1
分子名称: Genome polyprotein, Intercellular adhesion molecule 1
著者Hrebik, D, Fuzik, T, Plevka, P.
登録日2021-01-06
公開日2021-05-19
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating.
Proc.Natl.Acad.Sci.USA, 118, 2021
5L7T
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BU of 5l7t by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
分子名称: (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2016-06-03
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
5L7Y
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BU of 5l7y by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
分子名称: (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2016-06-04
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
6QK8
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BU of 6qk8 by Molmil
Crystal structure of yeast 14-3-3 protein (Bmh1) from Saccharomyces cerevisiae with the Nha1p (yeast Na+/H+ antiporter) 14-3-3 binding motif Ser481
分子名称: Na(+)/H(+) antiporter, Protein BMH1
著者Smidova, A, Obsil, T, Obsilova, V.
登録日2019-01-28
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.917 Å)
主引用文献The activity of Saccharomyces cerevisiae Na+, K+/H+antiporter Nha1 is negatively regulated by 14-3-3 protein binding at serine 481.
Biochim Biophys Acta Mol Cell Res, 1866, 2019
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
著者Somsen, B.A, Ottmann, C.
登録日2021-03-25
公開日2021-10-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
6K2Z
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Human Galectin-14 with lactose
分子名称: Placental protein 13-like, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2019-05-15
公開日2020-06-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function studies of galectin-14, an important effector molecule in embryology.
Febs J., 288, 2021
6K2Y
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Human Galectin-14
分子名称: Placental protein 13-like
著者Su, J.
登録日2019-05-15
公開日2020-06-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-function studies of galectin-14, an important effector molecule in embryology.
Febs J., 288, 2021
4UHI
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BU of 4uhi by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G.
登録日2015-03-24
公開日2016-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016

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