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8SLN
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BU of 8sln by Molmil
Crystal structure of Deinococcus geothermalis PprI complexed with ssDNA
分子名称: DNA (29-MER), MANGANESE (II) ION, Zn dependent hydrolase fused to HTH domain, ...
著者Zhao, Y, Lu, H.
登録日2023-04-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
分子名称: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
著者Zhao, Y, Lu, H.
登録日2023-04-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
7CGP
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BU of 7cgp by Molmil
Cryo-EM structure of the human mitochondrial translocase TIM22 complex at 3.7 angstrom.
分子名称: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acylglycerol kinase, mitochondrial, ...
著者Qi, L, Wang, Q, Guan, Z, Yan, C, Yin, P.
登録日2020-07-01
公開日2020-10-14
最終更新日2021-03-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of the human mitochondrial translocase TIM22 complex.
Cell Res., 31, 2021
7CUQ
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BU of 7cuq by Molmil
2.55-Angstrom Cryo-EM structure of Cytochrome bo3 from Escherichia coli in Native Membrane
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
著者Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
登録日2020-08-24
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CUW
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BU of 7cuw by Molmil
Ubiquinol Binding Site of Cytochrome bo3 from Escherichia coli
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
著者Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
登録日2020-08-25
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CUB
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BU of 7cub by Molmil
2.55-Angstrom Cryo-EM structure of Cytochrome bo3 from Escherichia coli in Native Membrane
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
著者Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
登録日2020-08-22
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7E4H
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BU of 7e4h by Molmil
Cryo-EM structure of the yeast mitochondrial SAM-Tom40 complex at 3.0 angstrom
分子名称: Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ...
著者Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P.
登録日2021-02-13
公開日2021-09-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
7CP9
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BU of 7cp9 by Molmil
Cryo-EM structure of human mitochondrial translocase TOM complex at 3.0 angstrom.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ...
著者Guan, Z, Yan, L, Wang, Q, Yan, C, Yin, P.
登録日2020-08-06
公開日2021-04-28
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into assembly of human mitochondrial translocase TOM complex.
Cell Discov, 7, 2021
7E4I
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BU of 7e4i by Molmil
Cryo-EM structure of the yeast mitochondrial SAM-Tom40/Tom5/Tom6 complex at 3.0 angstrom
分子名称: Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, Mitochondrial import receptor subunit TOM6, ...
著者Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P.
登録日2021-02-13
公開日2021-09-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
5DP4
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BU of 5dp4 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 3
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5VYF
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BU of 5vyf by Molmil
Structure of single chain Fel d 1 bound to a neutralizing antibody
分子名称: Antibody Fab heavy chain, Antibody light chain, CALCIUM ION, ...
著者Franklin, M.C.
登録日2017-05-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Treating cat allergy with monoclonal IgG antibodies that bind allergen and prevent IgE engagement.
Nat Commun, 9, 2018
3HFJ
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BU of 3hfj by Molmil
Bacillus anthracis nicotinate mononucleotide adenylytransferase (nadD) in complex with inhibitor CID 3289443
分子名称: 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide, CALCIUM ION, Nicotinate (Nicotinamide) nucleotide adenylyltransferase
著者Zhang, H, Huang, N, Eyobo, Y.
登録日2009-05-11
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD.
Chem.Biol., 16, 2009
7SEG
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BU of 7seg by Molmil
Crystal structure of the complex of CD16A bound by an anti-CD16A 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, GLYCEROL, ...
著者Kiefer, J.R, Wallweber, H.A, Polson, A.G.
登録日2021-09-30
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma.
Leukemia, 36, 2022
6FZP
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BU of 6fzp by Molmil
PPAR gamma complex.
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Rochel, N, Beji, S.
登録日2018-03-15
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZJ
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BU of 6fzj by Molmil
PPAR gamma mutant complex
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, IODIDE ION, ...
著者Rochel, N.
登録日2018-03-14
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZY
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BU of 6fzy by Molmil
PPAR mutant
分子名称: Peroxisome proliferator-activated receptor gamma
著者Rochel, N.
登録日2018-03-15
公開日2019-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZG
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BU of 6fzg by Molmil
PPAR gamma mutant complex
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma
著者Rochel, N.
登録日2018-03-14
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZF
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BU of 6fzf by Molmil
PPAR mutant complex
分子名称: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Rochel, N.
登録日2018-03-14
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
8QW7
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BU of 8qw7 by Molmil
Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
分子名称: (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QU8
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BU of 8qu8 by Molmil
PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1
分子名称: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
著者Fischer, G, Peter, D, Arce-Solano, S.
登録日2023-10-14
公開日2023-12-06
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QVU
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BU of 8qvu by Molmil
Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex
分子名称: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QUG
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BU of 8qug by Molmil
KRAS-G12C in Complex with Compound 1
分子名称: (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Fischer, G, Kratochvil, B.
登録日2023-10-16
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QW6
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BU of 8qw6 by Molmil
Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
分子名称: (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
6RZ3
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BU of 6rz3 by Molmil
Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP
分子名称: Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION
著者Chen, S, Ren, J, Jones, E.Y, Lu, X.
登録日2019-06-12
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.23 Å)
主引用文献iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition.
Proc.Natl.Acad.Sci.USA, 116, 2019
8IQ8
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BU of 8iq8 by Molmil
Crystal structure of 3,4-dihydroxyphenylacetate 2,3-dioxygenase (DHPAO) from Acinetobacter baumannii
分子名称: 3,4-dihydroxyphenylacetate 2,3-dioxygenase, SODIUM ION
著者Chitnumsub, P, Maenpuen, S.
登録日2023-03-16
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and biochemical characterization of an extradiol 3,4-dihydroxyphenylacetate 2,3-dioxygenase from Acinetobacter baumannii.
Arch.Biochem.Biophys., 747, 2023

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