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8QK4
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BU of 8qk4 by Molmil
Dehydratase domain (PksJ DH1) from the bacillaene trans-AT PKS
分子名称: CHLORIDE ION, GLYCEROL, Polyketide synthase PksJ, ...
著者Pang, F, Alkhalaf, L.M, Jenner, M.
登録日2023-09-14
公開日2024-09-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dehydratase domain (PksJ DH1) from the bacillaene trans-AT PKS
To Be Published
1N6J
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BU of 1n6j by Molmil
Structural basis of sequence-specific recruitment of histone deacetylases by Myocyte Enhancer Factor-2
分子名称: 5'-D(*AP*GP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*CP*T)-3', Calcineurin-binding protein Cabin 1, ...
著者Han, A, Pan, F, Stroud, J.C, Youn, H.D, Liu, J.O, Chen, L.
登録日2002-11-11
公開日2003-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sequence-specific recruitment of transcriptional co-repressor Cabin1 by myocyte enhancer factor-2
Nature, 422, 2003
1M8U
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BU of 1m8u by Molmil
Crystal Structure of Bovine gamma-E at 1.65 Ang Resolution
分子名称: gamma-E
著者Mayer, C, Agueznay, N, Skouri-Panet, F, Prat, K, Putilina, T, Biarrotte-Sorin, S, Tardieu, A.
登録日2002-07-26
公開日2003-08-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Bovine gamma-E
To be Published
4X2L
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BU of 4x2l by Molmil
Crystal structure of human BACE-1 bound to Compound 6
分子名称: (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Vajdos, F.F, Parris, K.
登録日2014-11-26
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
4WY6
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BU of 4wy6 by Molmil
Crystal structure of human BACE-1 bound to Compound 36
分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Vajdos, F.F.
登録日2014-11-15
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
4WY1
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BU of 4wy1 by Molmil
Crystal structure of human BACE-1 bound to Compound 24B
分子名称: (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1
著者Vajdos, F.F, Parris, K.
登録日2014-11-14
公開日2015-03-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
6LH8
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BU of 6lh8 by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-07
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
6LHZ
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BU of 6lhz by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-10
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
9BCG
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BU of 9bcg by Molmil
Myeloid cell leukemia-1 (Mcl-1) complexed with compound
分子名称: 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, B, Fesik, S.W.
登録日2024-04-09
公開日2024-08-07
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor That Demonstrates Potent In Vivo Activities in Mouse Models of Hematological and Solid Tumors.
J.Med.Chem., 67, 2024
6SFR
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BU of 6sfr by Molmil
SOS1 in Complex with Inhibitor BI-68BS
分子名称: 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
著者Kessler, D, Fischer, G, Ramharter, J.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
6SCM
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BU of 6scm by Molmil
SOS1 in Complex with Inhibitor BI-3406
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ...
著者Kessler, D, Fischer, G, Ramharter, J.
登録日2019-07-24
公開日2020-08-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
8ADG
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BU of 8adg by Molmil
Cryo-EM structure of Darobactin 22 bound BAM complex
分子名称: Darobactin 22, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
著者Yuan, B, Marlovits, T.C.
登録日2022-07-08
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Darobactins Exhibiting Superior Antibiotic Activity by Cryo-EM Structure Guided Biosynthetic Engineering.
Angew.Chem.Int.Ed.Engl., 62, 2023
8ADI
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BU of 8adi by Molmil
Cryo-EM structure of Darobactin 9 bound BAM complex
分子名称: Darobactin 9, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
著者Yuan, B, Marlovits, T.C.
登録日2022-07-08
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Darobactins Exhibiting Superior Antibiotic Activity by Cryo-EM Structure Guided Biosynthetic Engineering.
Angew.Chem.Int.Ed.Engl., 62, 2023
5IWL
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BU of 5iwl by Molmil
CD47-diabody complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ...
著者Di, W, Jude, K.M, Garcia, K.C.
登録日2016-03-22
公開日2016-06-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer.
J.Clin.Invest., 126, 2016
5IX6
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BU of 5ix6 by Molmil
X-ray structure of Auoxo3-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, Ferritin light chain, GOLD ION, ...
著者Ferraro, G, Pontillo, N, Merlino, A.
登録日2016-03-23
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gold-based drug encapsulation within a ferritin nanocage: X-ray structure and biological evaluation as a potential anticancer agent of the Auoxo3-loaded protein.
Chem.Commun.(Camb.), 52, 2016
3I3S
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BU of 3i3s by Molmil
Crystal Structure of H-Ras with Thr50 replaced by Isoleucine
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Gremer, L, Dvorsky, R, Merbitz-Zahradnik, T, Wittinghofer, A, Ahmadian, M.R.
登録日2009-06-30
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A restricted spectrum of NRAS mutations causes Noonan syndrome.
Nat.Genet., 42, 2010
6HJT
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BU of 6hjt by Molmil
The X-ray structure of the horse spleen ferritin nanocage containing Pt, obtained upon encapsulation of a Pt(II) terpyridine compound within the protein cage
分子名称: CADMIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pica, A, Ferraro, G, Merlino, A.
登録日2018-09-04
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Preparation, structure, cytotoxicity and mechanism of action of ferritin-Pt(II) terpyridine compound nanocomposites.
Nanomedicine (Lond), 13, 2018
6HJU
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BU of 6hju by Molmil
The X-ray structure of the horse spleen ferritin nanocage containing Pt, obtained upon encapsulation of a Pt(II) terpyridine compound within the protein cage
分子名称: CADMIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pica, A, Ferraro, G, Merlino, A.
登録日2018-09-04
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Preparation, structure, cytotoxicity and mechanism of action of ferritin-Pt(II) terpyridine compound nanocomposites.
Nanomedicine (Lond), 13, 2018
4Z80
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BU of 4z80 by Molmil
Crystal structure of Toxoplasma gondii AMA4 DI-DII-EGF1 in complex with a 33 aa TgRON2L1 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytoadherence-linked asexual protein, EGF family domain-containing protein, ...
著者Parker, M.L, Boulanger, M.J.
登録日2015-04-08
公開日2015-12-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Dissecting the interface between apicomplexan parasite and host cell: Insights from a divergent AMA-RON2 pair.
Proc.Natl.Acad.Sci.USA, 113, 2016
6GXJ
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BU of 6gxj by Molmil
X-ray structure of DiRu-1-encapsulated Apoferritin
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Pica, A, Ferraro, G, Merlino, A.
登録日2018-06-27
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Encapsulation of the Dinuclear Trithiolato-Bridged Arene Ruthenium Complex Diruthenium-1 in an Apoferritin Nanocage: Structure and Cytotoxicity.
ChemMedChem, 14, 2019
4Z81
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BU of 4z81 by Molmil
Crystal structure of AMA4 DI-DII-EGF1 from Toxoplasma gondii
分子名称: EGF family domain-containing protein, GLYCEROL
著者Parker, M.L, Boulanger, M.J.
登録日2015-04-08
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dissecting the interface between apicomplexan parasite and host cell: Insights from a divergent AMA-RON2 pair.
Proc.Natl.Acad.Sci.USA, 113, 2016
5LCI
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BU of 5lci by Molmil
Solution structure of BOLA1 from Homo sapiens
分子名称: BolA-like protein 1
著者Nasta, V, Ciofi Baffoni, S, Banci, L.
登録日2016-06-21
公開日2016-08-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins.
Elife, 5, 2016
2NCL
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BU of 2ncl by Molmil
Solution structure of BOLA3 from Homo sapiens
分子名称: BolA-like protein 3
著者Ciofi-Baffoni, S, Nasta, V, Banci, L.
登録日2016-04-11
公開日2016-09-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins.
Elife, 5, 2016
6ENW
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BU of 6enw by Molmil
X-ray structure of Auoxo4-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Ferraro, G, Merlino, A.
登録日2017-10-06
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ferritin nanocages loaded with gold ions induce oxidative stress and apoptosis in MCF-7 human breast cancer cells.
Dalton Trans, 46, 2017
6FX8
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BU of 6fx8 by Molmil
The X-ray structure of the ferritin nanocage containing Au and Pt, obtained upon encapsulation of a single heterobimetallic compound within the protein cage (rotating anode data)
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Merlino, A, Ferraro, G.
登録日2018-03-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Caged noble metals: Encapsulation of a cytotoxic platinum(II)-gold(I) compound within the ferritin nanocage.
Int. J. Biol. Macromol., 115, 2018

 

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