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7MKX
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BU of 7mkx by Molmil
Crystal Structure Analysis of human CDK2 and CCNA2 complex
Descriptor: 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide, Cyclin-A2, Cyclin-dependent kinase 2
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2021-04-27
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Crystal Structure Analysis of human CDK2 and CCNA2 complex
To Be Published
7NFW
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BU of 7nfw by Molmil
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide
Descriptor: 14-3-3 protein sigma, Estrogen receptor
Authors:Roversi, P, Falcicchio, M, Doveston, R.
Deposit date:2021-02-08
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
6B8J
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BU of 6b8j by Molmil
Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor
Descriptor: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ...
Authors:Bussiere, D.E.
Deposit date:2017-10-08
Release date:2017-11-08
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
5JLW
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BU of 5jlw by Molmil
AntpHD with 15bp DNA duplex R-monothioated at Cytidine-8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7R)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
Authors:White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D.
Deposit date:2016-04-27
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
2RM0
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BU of 2rm0 by Molmil
FBP28WW2 domain in complex with a PPPLIPPPP peptide
Descriptor: Formin-1, Transcription elongation regulator 1
Authors:Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
Deposit date:2007-09-06
Release date:2007-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
6AX3
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BU of 6ax3 by Molmil
Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA)
Descriptor: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ...
Authors:Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
Deposit date:2017-09-06
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
5J9Q
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BU of 5j9q by Molmil
Crystal structure of the NuA4 core complex
Descriptor: Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ...
Authors:Chen, Z.C, Xu, P.
Deposit date:2016-04-11
Release date:2016-10-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
2RLY
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BU of 2rly by Molmil
FBP28WW2 domain in complex with PTPPPLPP peptide
Descriptor: Formin-1, Transcription elongation regulator 1
Authors:Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J.
Deposit date:2007-09-03
Release date:2007-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains
J.Mol.Biol., 373, 2007
6B9X
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BU of 6b9x by Molmil
Crystal structure of Ragulator
Descriptor: Hepatitis B virus x interacting protein, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ...
Authors:SU, M.-Y, Hurley, J.H.
Deposit date:2017-10-11
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Hybrid Structure of the RagA/C-Ragulator mTORC1 Activation Complex.
Mol. Cell, 68, 2017
6B76
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BU of 6b76 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LVR596
Descriptor: (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Weihofen, W.A, Thigale, S.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
3QWR
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BU of 3qwr by Molmil
Crystal structure of IL-23 in complex with an adnectin
Descriptor: ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Wei, A, Sheriff, S.
Deposit date:2011-02-28
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
7NIZ
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BU of 7niz by Molmil
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065
Descriptor: 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ...
Authors:Roversi, P, Falcicchio, M, Doveston, R.
Deposit date:2021-02-14
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
7NND
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BU of 7nnd by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NMX
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BU of 7nmx by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 12
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CALCIUM ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NNE
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BU of 7nne by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 22
Descriptor: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NMW
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BU of 7nmw by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 40
Descriptor: 14-3-3 protein sigma, 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NMA
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BU of 7nma by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NPB
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BU of 7npb by Molmil
Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide and fragment 09
Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-26
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NP2
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BU of 7np2 by Molmil
Crystal structure of 14-3-3 sigma in complex with 20mer Amot-p130 peptide
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-26
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7NN2
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BU of 7nn2 by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41
Descriptor: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Li, D, Wang, W.
Deposit date:2016-06-17
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
5IBK
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BU of 5ibk by Molmil
Skp1-F-box in complex with a ubiquitin variant
Descriptor: F-box/WD repeat-containing protein 7, Polyubiquitin-B, S-phase kinase-associated protein 1,S-phase kinase-associated protein 1
Authors:Orlicky, S, Sicheri, F.
Deposit date:2016-02-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Inhibition of SCF ubiquitin ligases by engineered ubiquitin variants that target the Cul1 binding site on the Skp1-F-box interface.
Proc.Natl.Acad.Sci.USA, 113, 2016
7N17
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BU of 7n17 by Molmil
Structure of TAX-4_R421W apo open state
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel
Authors:Zheng, X, Li, H, Hu, Z, Su, D, Yang, J.
Deposit date:2021-05-27
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel.
Commun Biol, 5, 2022
7N16
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BU of 7n16 by Molmil
Structure of TAX-4_R421W apo closed state
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, SODIUM ION
Authors:Zheng, X, Li, H, Hu, Z, Su, D, Yang, J.
Deposit date:2021-05-27
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel.
Commun Biol, 5, 2022
7N15
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BU of 7n15 by Molmil
Structure of TAX-4_R421W w/cGMP open state
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ...
Authors:Zheng, X, Li, H, Hu, Z, Su, D, Yang, J.
Deposit date:2021-05-27
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and functional characterization of an achromatopsia-associated mutation in a phototransduction channel.
Commun Biol, 5, 2022

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数据于2024-10-09公开中

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