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8P9J
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BU of 8p9j by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
8P9F
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BU of 8p9f by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
2HNA
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BU of 2hna by Molmil
Solution Structure of a bacterial apo-flavodoxin
分子名称: Protein mioC
著者Hu, Y, Jin, C.
登録日2006-07-12
公開日2006-09-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures and backbone dynamics of a flavodoxin MioC from Escherichia coli in both Apo- and Holo-forms: implications for cofactor binding and electron transfer
J.Biol.Chem., 281, 2006
8P9L
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BU of 8p9l by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
4M5F
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BU of 4m5f by Molmil
complex structure of Tse3-Tsi3
分子名称: CALCIUM ION, PHOSPHATE ION, Uncharacterized protein
著者Gu, L.C.
登録日2013-08-08
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
8FIV
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BU of 8fiv by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
分子名称: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
著者Sacco, M, Wang, J, Chen, Y.
登録日2022-12-16
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8FIW
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BU of 8fiw by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
分子名称: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
著者Sacco, M, Wang, J, Chen, Y.
登録日2022-12-16
公開日2023-08-09
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
5V5F
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BU of 5v5f by Molmil
Crystal structure of RICE1 (PNT2)
分子名称: At3g11770
著者Li, P.
登録日2017-03-14
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.945 Å)
主引用文献RISC-interacting clearing 3'- 5' exoribonucleases (RICEs) degrade uridylated cleavage fragments to maintain functional RISC in Arabidopsis thaliana.
Elife, 6, 2017
8PVQ
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BU of 8pvq by Molmil
Crystal Structure of Human PTX3 C-terminal domain
分子名称: Pentraxin-related protein PTX3
著者Levy, C.W.
登録日2023-07-18
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Pentraxin 3 mediated crosslinking of heavy chain hyaluronan complexes: new insights from structural and biophysical studies
To Be Published
8GI5
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BU of 8gi5 by Molmil
Cryo-EM of self-assembling pyrene peptide with Ca2+
分子名称: Pyrene peptide
著者Rich-New, S.T, Guo, J, Xu, B, Wang, F.
登録日2023-03-13
公開日2023-06-14
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Hierarchical Assembly of Intrinsically Disordered Short Peptides.
Chem, 9, 2023
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
8ORG
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BU of 8org by Molmil
Cryo-EM structure of SH-SY5Y seeded with filaments from corticobasal degeneration extracts (Type II)
分子名称: Microtubule-associated protein tau
著者Lovestam, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-13
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Cryo-EM structures of tau filaments from SH-SY5Y cells seeded with brain extracts from cases of Alzheimer's disease and corticobasal degeneration.
Febs Open Bio, 13, 2023
8ORF
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BU of 8orf by Molmil
Cryo-EM structure of SH-SY5Y seeded with filaments from corticobasal degeneration extracts
分子名称: Microtubule-associated protein tau
著者Lovestam, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-13
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structures of tau filaments from SH-SY5Y cells seeded with brain extracts from cases of Alzheimer's disease and corticobasal degeneration.
Febs Open Bio, 13, 2023
8ORE
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BU of 8ore by Molmil
Cryo-EM structure of SH-SY5Y seeded with filaments from Alzheimer's Disease
分子名称: Microtubule-associated protein tau
著者Lovestam, S, Scheres, S.H.W, Goedert, M.
登録日2023-04-13
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structures of tau filaments from SH-SY5Y cells seeded with brain extracts from cases of Alzheimer's disease and corticobasal degeneration.
Febs Open Bio, 13, 2023
8P9G
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BU of 8p9g by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
1RUO
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BU of 1ruo by Molmil
CATABOLITE GENE ACTIVATOR PROTEIN (CAP) MUTANT/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*TP*CP*G )-3'), DNA (5'-D(*GP*CP*GP*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3'), ...
著者Parkinson, G.N, Ebright, R.H, Berman, H.M.
登録日1996-05-26
公開日1997-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aromatic hydrogen bond in sequence-specific protein DNA recognition.
Nat.Struct.Biol., 3, 1996
8P9H
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BU of 8p9h by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
2JSO
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BU of 2jso by Molmil
Antimicrobial resistance protein
分子名称: Polymyxin resistance protein pmrD
著者Jin, C, Fu, W.
登録日2007-07-10
公開日2007-09-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献First structure of the polymyxin resistance proteins.
Biochem.Biophys.Res.Commun., 361, 2007
2HDZ
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BU of 2hdz by Molmil
Crystal Structure Analysis of the UBF HMG box5
分子名称: Nucleolar transcription factor 1
著者Rong, H, Teng, M.K, Niu, L.W.
登録日2006-06-21
公開日2007-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human upstream binding factor HMG box 5 and site for binding of the cell-cycle regulatory factor TAF1
Acta Crystallogr.,Sect.D, 63, 2007
5ZYA
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BU of 5zya by Molmil
SF3b spliceosomal complex bound to E7107
分子名称: PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ...
著者Finci, L.I, Larsen, N.A.
登録日2018-05-23
公開日2018-06-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献The cryo-EM structure of the SF3b spliceosome complex bound to a splicing modulator reveals a pre-mRNA substrate competitive mechanism of action
Genes Dev., 32, 2018
6ACE
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BU of 6ace by Molmil
histone lysine desuccinylase Sirt5 in complex with succinyl peptide H3K122
分子名称: GLYCEROL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Hang, T.R, Chen, W.B.
登録日2018-07-26
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献complex structure of histone lysine desuccinylase Sirt5 with succinyl peptide H3K122
To Be Published
1LBA
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BU of 1lba by Molmil
THE STRUCTURE OF BACTERIOPHAGE T7 LYSOZYME, A ZINC AMIDASE AND AN INHIBITOR OF T7 RNA POLYMERASE
分子名称: T7 LYSOZYME, ZINC ION
著者Cheng, X.
登録日1993-12-22
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of bacteriophage T7 lysozyme, a zinc amidase and an inhibitor of T7 RNA polymerase.
Proc.Natl.Acad.Sci.USA, 91, 1994
8QEX
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BU of 8qex by Molmil
Streptavidin variant with a cobalt catalyst for CH metal-catalyzed hydrogen-atom-transfer (M-HAT)
分子名称: Streptavidin, cobalt Streptavidin
著者Jakob, R.P, Chen, D, Ward, T.R.
登録日2023-09-01
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An evolved artificial radical cyclase enables the construction of bicyclic terpenoid scaffolds via an H-atom transfer pathway.
Nat.Chem., 2024
8GCM
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Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
分子名称: (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GCP
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Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
登録日2023-03-02
公開日2024-01-03
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023

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件を2024-09-18に公開中

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