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5CSO
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BU of 5cso by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleoside, cytidine at 1.78 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
5CST
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BU of 5cst by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine diphosphate at 1.78 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
4YEU
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BU of 4yeu by Molmil
ELIC-GLIC chimera in the resting conformation
Descriptor: Cys-loop ligand-gated ion channel,Proton-gated ion channel
Authors:Schmandt, N, Vivien, Y, Lodowski, D, Chakrapani, S.
Deposit date:2015-02-24
Release date:2015-09-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:An ELIC-GLIC Chimera Reveals Distinct Pathways of Activation in the Cys-loop receptors
To Be Published
5EF8
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BU of 5ef8 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with panobinostat
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Hdac6 protein, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
8PD1
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BU of 8pd1 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
Deposit date:2023-06-11
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
4ZZ6
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BU of 4zz6 by Molmil
Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine triphosphate at 2.0A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-05-22
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
8UHO
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BU of 8uho by Molmil
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A
Descriptor: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide
Authors:Concha, N.O, Williams, S.P.
Deposit date:2023-10-09
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
8UIF
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BU of 8uif by Molmil
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A
Descriptor: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2S)-oxolan-2-yl]-3-[(3S)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide
Authors:Concha, N.O, Williams, S.P.
Deposit date:2023-10-10
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
5FRM
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BU of 5frm by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ...
Authors:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2015-12-18
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
5GRD
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BU of 5grd by Molmil
Crystal structure of 10-mer peptide from EBV in complex with HLA-A1101.
Descriptor: Beta-2-microglobulin, Epstein Barr Virus, Latent membrane protein 2 epitope, ...
Authors:Tadwal, V.S, Xiao, Z, Ren, E.C.
Deposit date:2016-08-10
Release date:2017-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dual non-contiguous peptide occupancy of HLA class I evoke antiviral human CD8 T cell response and form neo-epitopes with self-antigens
Sci Rep, 7, 2017
5CNW
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BU of 5cnw by Molmil
Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans
Descriptor: FrnE protein, GLYCEROL
Authors:Bihani, S.C, Panicker, L, Kumar, V.
Deposit date:2015-07-18
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases.
Antioxid. Redox Signal., 28, 2018
5CO3
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BU of 5co3 by Molmil
Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in presence of DTT
Descriptor: FrnE protein, GLYCEROL
Authors:Bihani, S.C, Panicker, L, Kumar, V.
Deposit date:2015-07-19
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases.
Antioxid. Redox Signal., 28, 2018
5CP1
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BU of 5cp1 by Molmil
Crystal structure of C239S mutant of a novel disulfide oxidoreductase from Deinococcus radiodurans
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FrnE protein, ...
Authors:Bihani, S.C, Panicker, L, Kumar, V.
Deposit date:2015-07-21
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans
To Be Published
5CO4
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BU of 5co4 by Molmil
Structural insights into the 2-OH methylation of C/U34 on tRNA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Putative tRNA (cytidine(34)-2'-O)-methyltransferase
Authors:Xie, W, Pang, P, Wang, Z.
Deposit date:2015-07-19
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the 2-OH methylation of C34 or U34 on tRNA
To Be Published
5GSD
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BU of 5gsd by Molmil
Crystal structure of LMP2 peptide from EBV in complex with HLA-A*11:01
Descriptor: Beta-2-microglobulin, Epstein Barr Virus, Latent membrane protein-2 epitope, ...
Authors:Tadwal, V.S, Xiao, Z, Ren, E.C.
Deposit date:2016-08-15
Release date:2017-08-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual non-contiguous peptide occupancy of HLA class I evoke antiviral human CD8 T cell response and form neo-epitopes with self-antigens
Sci Rep, 7, 2017
5FRO
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BU of 5fro by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f)
Descriptor: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ...
Authors:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2015-12-18
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
5GRG
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BU of 5grg by Molmil
Crystal structure of dual peptide from EBV in complex with HLA-A*11:01
Descriptor: Beta-2-microglobulin, Epstein Barr Virus, Latent Membrane Protein 2 epitope, ...
Authors:Tadwal, V.S, Xiao, Z, Ren, E.C.
Deposit date:2016-08-11
Release date:2017-08-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Dual non-contiguous peptide occupancy of HLA class I evoke antiviral human CD8 T cell response and form neo-epitopes with self-antigens
Sci Rep, 7, 2017
5GZ7
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BU of 5gz7 by Molmil
Crystal Structure of the complex of Ribosome Inactivating Protein with 1,2-ethanediol at 1.95 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Tiwari, P, Pandey, S.N, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2016-09-26
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the complex of Ribosome Inactivating Protein with 1,2-ethanediol at 1.95 Angstrom resolution.
To Be Published
6GWC
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BU of 6gwc by Molmil
Tubulin:iE5 alphaRep complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALPHA-TUBULIN, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V.
Deposit date:2018-06-22
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selection and Characterization of Artificial Proteins Targeting the Tubulin alpha Subunit.
Structure, 27, 2019
6GWD
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BU of 6gwd by Molmil
Tubulin:iiH5 alphaRep complex
Descriptor: ALPHA-TUBULIN, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V.
Deposit date:2018-06-22
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Selection and Characterization of Artificial Proteins Targeting the Tubulin alpha Subunit.
Structure, 27, 2019
5FRN
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BU of 5frn by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c)
Descriptor: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ...
Authors:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2015-12-18
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
6GVM
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BU of 6gvm by Molmil
Tubulin:F3II DARPin complex
Descriptor: F3II DARPIN, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V, Cantos Fernandes, S.
Deposit date:2018-06-21
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Insight into microtubule nucleation from tubulin-capping proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
5FW5
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BU of 5fw5 by Molmil
Crystal structure of human G3BP1 in complex with Semliki Forest Virus nsP3-25 comprising two FGDF motives
Descriptor: ACETATE ION, GLYCEROL, NON-STRUCTURAL PROTEIN 3, ...
Authors:Schulte, T, Liu, L, Panas, M.D, Thaa, B, Goette, B, Achour, A, McInerney, G.M.
Deposit date:2016-02-12
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Combined structural, biochemical and cellular evidence demonstrates that both FGDF motifs in alphavirus nsP3 are required for efficient replication.
Open Biol, 6, 2016
2A1O
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BU of 2a1o by Molmil
Crystal structure of ferrous dioxygen complex of T252A cytochrome P450cam
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:Nagano, S, Poulos, T.L.
Deposit date:2005-06-20
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism
J.Biol.Chem., 280, 2005
5E59
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BU of 5e59 by Molmil
Crystal structure of reduced state of a novel disulfide oxidoreductase from Deinococcus radiodurans
Descriptor: FrnE protein, GLYCEROL
Authors:Bihani, S.C, Panicker, L, Kumar, V.
Deposit date:2015-10-08
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases.
Antioxid. Redox Signal., 28, 2018

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數據於2024-07-17公開中

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