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1N6J
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BU of 1n6j by Molmil
Structural basis of sequence-specific recruitment of histone deacetylases by Myocyte Enhancer Factor-2
Descriptor: 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, ...
Authors:Han, A, Pan, F, Stroud, J.C, Youn, H.D, Liu, J.O, Chen, L.
Deposit date:2002-11-11
Release date:2003-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: gamma-E
Authors:Mayer, C, Agueznay, N, Skouri-Panet, F, Prat, K, Putilina, T, Biarrotte-Sorin, S, Tardieu, A.
Deposit date:2002-07-26
Release date:2003-08-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Vajdos, F.F, Parris, K.
Deposit date:2014-11-26
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: (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, ...
Authors:Vajdos, F.F.
Deposit date:2014-11-15
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1
Authors:Vajdos, F.F, Parris, K.
Deposit date:2014-11-14
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
9BCG
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BU of 9bcg by Molmil
Myeloid cell leukemia-1 (Mcl-1) complexed with compound
Descriptor: 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
Authors:Zhao, B, Fesik, S.W.
Deposit date:2024-04-09
Release date:2024-08-07
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.898 Å)
Cite: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
6LH8
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BU of 6lh8 by Molmil
Structure of aerolysin-like protein (Bombina maxima)
Descriptor: aerolysin-like protein
Authors:Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
Deposit date:2019-12-07
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.729 Å)
Cite: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)
Descriptor: aerolysin-like protein
Authors:Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
Deposit date:2019-12-10
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
5F9U
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BU of 5f9u by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 20 DEGREES
Descriptor: Cisplatin, GLYCEROL, Lysozyme C
Authors:Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A.
Deposit date:2015-12-10
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
5FCP
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BU of 5fcp by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN AT LONG INCUBATION TIMES
Descriptor: CHLORIDE ION, Cisplatin, GLYCEROL, ...
Authors:Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A.
Deposit date:2015-12-15
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
5F9X
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BU of 5f9x by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 55 DEGREES
Descriptor: Cisplatin, GLYCEROL, Lysozyme C
Authors:Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A.
Deposit date:2015-12-10
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
6SFR
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BU of 6sfr by Molmil
SOS1 in Complex with Inhibitor BI-68BS
Descriptor: 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
Authors:Kessler, D, Fischer, G, Ramharter, J.
Deposit date:2019-08-02
Release date:2020-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.917 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ...
Authors:Kessler, D, Fischer, G, Ramharter, J.
Deposit date:2019-07-24
Release date:2020-08-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.866 Å)
Cite: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
Descriptor: Darobactin 22, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Yuan, B, Marlovits, T.C.
Deposit date:2022-07-08
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: Darobactin 9, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Yuan, B, Marlovits, T.C.
Deposit date:2022-07-08
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Darobactins Exhibiting Superior Antibiotic Activity by Cryo-EM Structure Guided Biosynthetic Engineering.
Angew.Chem.Int.Ed.Engl., 62, 2023
6ENV
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BU of 6env by Molmil
X-ray structure of Au2phen-encapsulated horse spleen apoferritin
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-10-06
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Ferritin nanocages loaded with gold ions induce oxidative stress and apoptosis in MCF-7 human breast cancer cells.
Dalton Trans, 46, 2017
6ENW
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BU of 6enw by Molmil
X-ray structure of Auoxo4-encapsulated horse spleen apoferritin
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-10-06
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ferritin nanocages loaded with gold ions induce oxidative stress and apoptosis in MCF-7 human breast cancer cells.
Dalton Trans, 46, 2017
3I3S
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BU of 3i3s by Molmil
Crystal Structure of H-Ras with Thr50 replaced by Isoleucine
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Gremer, L, Dvorsky, R, Merbitz-Zahradnik, T, Wittinghofer, A, Ahmadian, M.R.
Deposit date:2009-06-30
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A restricted spectrum of NRAS mutations causes Noonan syndrome.
Nat.Genet., 42, 2010
5LCI
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BU of 5lci by Molmil
Solution structure of BOLA1 from Homo sapiens
Descriptor: BolA-like protein 1
Authors:Nasta, V, Ciofi Baffoni, S, Banci, L.
Deposit date:2016-06-21
Release date:2016-08-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins.
Elife, 5, 2016
5IWL
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BU of 5iwl by Molmil
CD47-diabody complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ...
Authors:Di, W, Jude, K.M, Garcia, K.C.
Deposit date:2016-03-22
Release date:2016-06-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CADMIUM ION, Ferritin light chain, GOLD ION, ...
Authors:Ferraro, G, Pontillo, N, Merlino, A.
Deposit date:2016-03-23
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
5ERK
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BU of 5erk by Molmil
X-ray structure of horse spleen apoferritin (control)
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Pontillo, N, Merlino, A.
Deposit date:2015-11-14
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cisplatin encapsulation within a ferritin nanocage: a high-resolution crystallographic study.
Chem.Commun.(Camb.), 52, 2016
5ERJ
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BU of 5erj by Molmil
X-ray structure of cisplatin-encapsulated horse spleen apoferritin
Descriptor: CADMIUM ION, CHLORIDE ION, Cisplatin, ...
Authors:Pontillo, N, Merlino, A.
Deposit date:2015-11-14
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cisplatin encapsulation within a ferritin nanocage: a high-resolution crystallographic study.
Chem.Commun.(Camb.), 52, 2016
2NCL
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BU of 2ncl by Molmil
Solution structure of BOLA3 from Homo sapiens
Descriptor: BolA-like protein 3
Authors:Ciofi-Baffoni, S, Nasta, V, Banci, L.
Deposit date:2016-04-11
Release date:2016-09-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins.
Elife, 5, 2016
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)
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Merlino, A, Ferraro, G.
Deposit date:2018-03-08
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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