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8QTT
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BU of 8qtt by Molmil
Crystal structure of a C-terminally truncated version of Arabidopsis thaliana 14-3-3 omega in complex with a phosphopeptide from the inhibitor protein BKI1.
Descriptor: 1,2-ETHANEDIOL, 14-3-3-like protein GF14 omega, BRI1 kinase inhibitor 1, ...
Authors:Hothorn, M, Obergfell, E.
Deposit date:2023-10-13
Release date:2023-11-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanistic Insights into the Function of 14-3-3 Proteins as Negative Regulators of Brassinosteroid Signaling in Arabidopsis.
Plant Cell.Physiol., 65, 2024
4U4C
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BU of 4u4c by Molmil
The molecular architecture of the TRAMP complex reveals the organization and interplay of its two catalytic activities
Descriptor: 1,2-ETHANEDIOL, ATP-dependent RNA helicase DOB1, CHLORIDE ION, ...
Authors:Falk, S, Weir, J.R, Hentschel, J, Reichelt, P, Bonneau, F, Conti, E.
Deposit date:2014-07-23
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Molecular Architecture of the TRAMP Complex Reveals the Organization and Interplay of Its Two Catalytic Activities.
Mol.Cell, 55, 2014
4U5J
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BU of 4u5j by Molmil
C-Src in complex with Ruxolitinib
Descriptor: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Proto-oncogene tyrosine-protein kinase Src
Authors:Chen, Y, Duan, Y, Chen, L.
Deposit date:2014-07-25
Release date:2014-09-17
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:c-Src Binds to the Cancer Drug Ruxolitinib with an Active Conformation
Plos One, 9, 2014
7RXU
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BU of 7rxu by Molmil
Crystal structure of Cj1090c
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Lipoprotein
Authors:Kim, Y, Yeo, H.J.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Campylobacter jejuni lipoprotein Cj1090c.
Proteins, 91, 2023
7UGE
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BU of 7uge by Molmil
Bromodomain of CBP liganded with BMS-536924
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
6ZQH
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BU of 6zqh by Molmil
Yeast Uba1 in complex with ubiquitin
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2020-07-09
Release date:2020-11-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection.
Chemistry, 27, 2021
8VOH
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BU of 8voh by Molmil
HADDOCK models of human alphaM I-domain bound to the the N-terminal domain of the cytokine pleiotrophin
Descriptor: Integrin alpha-M, Pleiotrophin
Authors:Wang, X, Nguyen, H.
Deposit date:2024-01-15
Release date:2024-05-15
Last modified:2025-05-28
Method:SOLUTION NMR
Cite:alpha M I-domain of integrin Mac-1 binds the cytokine pleiotrophin using multiple mechanisms.
Structure, 32, 2024
8P01
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BU of 8p01 by Molmil
Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer
Descriptor: 3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one, Stimulator of interferon genes protein
Authors:Nar, H.
Deposit date:2023-05-09
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer.
J.Med.Chem., 66, 2023
7PYF
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BU of 7pyf by Molmil
Structure of LPMO in complex with cellotetraose at 1.39x10^5 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Lo Leggio, L.
Deposit date:2021-10-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
3QWN
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BU of 3qwn by Molmil
Crystal structure of a NigD-like immunity protein (BACCAC_03262) from Bacteroides caccae ATCC 43185 at 2.42 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Hypothetical nigD-like protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-02-28
Release date:2011-03-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of a Hypothetical nigD-like protein (BACCAC_03262) from Bacteroides caccae at 2.42 A resolution
To be published
8T48
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BU of 8t48 by Molmil
The N4BP1 CUE-like domain in complex with linear di-Ubiquitin
Descriptor: Di-Ubiquitin, GLYCEROL, LITHIUM ION, ...
Authors:Schubert, A.F, Harris, S.F.
Deposit date:2023-06-08
Release date:2024-03-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:N4BP1 coordinates ubiquitin-dependent crosstalk within the I kappa B kinase family to limit Toll-like receptor signaling and inflammation.
Immunity, 57, 2024
4RYZ
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BU of 4ryz by Molmil
Crystal structure of RPE65 in complex with S-emixustat and palmitate
Descriptor: (1S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2014-12-17
Release date:2015-05-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
5O04
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BU of 5o04 by Molmil
GII.10 Vietnam 026 norovirus protruding domain in complex with Nanobody Nano-26 and Nano-85
Descriptor: 1,2-ETHANEDIOL, Capsid protein, Nanobody (VHH) Nano-26, ...
Authors:Koromyslova, A.D, Hansman, A.D.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
5HAN
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BU of 5han by Molmil
Structure function studies of R. palustris RubisCO (S59F mutant; CABP-bound)
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Arbing, M.A, Leong, J.G, Varaljay, V.A, Satagopan, S, North, J.A, Tabita, F.R.
Deposit date:2015-12-30
Release date:2017-01-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure function studies of R. palustris RubisCO
To Be Published
8OJH
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BU of 8ojh by Molmil
Crystal structure of human CRBN-DDB1 in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ...
Authors:Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2023-03-24
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
8CX8
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BU of 8cx8 by Molmil
Stx2A1-BTB13086
Descriptor: 1,2-ETHANEDIOL, 5-(4-chlorophenyl)furan-2-carboxylic acid, CHLORIDE ION, ...
Authors:Rudolph, M.J, Li, X.P.
Deposit date:2022-05-20
Release date:2024-03-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Fragment Screening to Identify Inhibitors Targeting Ribosome Binding of Shiga Toxin 2.
Acs Infect Dis., 10, 2024
6YCQ
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BU of 6ycq by Molmil
Crystal structure of the DNA binding domain of Arabidopsis thaliana Auxin Response Factor 1 (AtARF1) in complex with High Affinity DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 21-7A, 21-7B, ...
Authors:Crespo, I, Weijers, D, Boer, D.R.
Deposit date:2020-03-18
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Architecture of DNA elements mediating ARF transcription factor binding and auxin-responsive gene expression in Arabidopsis .
Proc.Natl.Acad.Sci.USA, 117, 2020
8E44
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BU of 8e44 by Molmil
E. coli 50S ribosome bound to antibiotic analog SLC09
Descriptor: 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2022-08-17
Release date:2023-06-28
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:SLC collection of antibiotic analogs
To Be Published
8XKS
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BU of 8xks by Molmil
The cryo-EM structure of Orf2971-FtsHi motor complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 4Fe-4S ferredoxin-type domain-containing protein, ...
Authors:Wang, N, Li, M.
Deposit date:2023-12-24
Release date:2024-12-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Architecture of the ATP-driven motor for protein import into chloroplasts.
Mol Plant, 17, 2024
8VKJ
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BU of 8vkj by Molmil
Cryo-EM structure of human HGSNAT bound with Acetyl-CoA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ...
Authors:Li, F, Zhao, B.
Deposit date:2024-01-09
Release date:2024-06-26
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome.
Nat Commun, 15, 2024
3DPJ
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BU of 3dpj by Molmil
The crystal structure of a TetR transcription regulator from Silicibacter pomeroyi DSS
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Transcription regulator, ...
Authors:Tan, K, Li, H, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-07-08
Release date:2008-09-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of a TetR transcription regulator from Silicibacter pomeroyi DSS
To be Published
8OLU
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BU of 8olu by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with 1-Benzyl-N-(3-(cyclopropylcarbamoyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
Descriptor: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
Authors:Rowland, P.
Deposit date:2023-03-30
Release date:2023-08-09
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors.
J.Med.Chem., 66, 2023
8VD9
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BU of 8vd9 by Molmil
Crystal structure of Bacillus subtilis FabHA, beta-ketoacyl carrier protein synthase III
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-ketoacyl-[acyl-carrier-protein] synthase III 1
Authors:Radka, C.D, Rock, C.O.
Deposit date:2023-12-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the fatty acid biosynthesis initiation enzymes in Bacillus subtilis.
J.Struct.Biol., 216, 2024
5HCL
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BU of 5hcl by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with DMA
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide
Authors:Dong, J, Weber, F.E, Caflisch, A.
Deposit date:2016-01-04
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment.
Sci Rep, 7, 2017
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
Descriptor: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
Authors:Sok, P, Zeke, A, Remenyi, A.
Deposit date:2021-09-14
Release date:2022-09-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022

245011

數據於2025-11-19公開中

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