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7CVQ
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BU of 7cvq by Molmil
crystal structure of Arabidopsis CO CCT domain in complex with NF-YB2/YC3 and FT CORE1 DNA
Descriptor: Chimera of Nuclear transcription factor Y subunit C-3 and Zinc finger protein CONSTANS, FT CORE1 DNA forward strand, FT CORE1 DNA reverse strand, ...
Authors:Lv, X, Du, J.
Deposit date:2020-08-26
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural insights into the multivalent binding of the Arabidopsis FLOWERING LOCUS T promoter by the CO-NF-Y master transcription factor complex.
Plant Cell, 33, 2021
7CVO
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BU of 7cvo by Molmil
crystal structure of Arabidopsis CO CCT domain in complex with NF-YB3/YC4 and FT CORE2 DNA
Descriptor: Chimera of Nuclear transcription factor Y subunit C-4 and Zinc finger protein CONSTANS, FT CORE2 DNA forward strand, FT CORE2 DNA reverse strand, ...
Authors:Lv, X, Du, J.
Deposit date:2020-08-26
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the multivalent binding of the Arabidopsis FLOWERING LOCUS T promoter by the CO-NF-Y master transcription factor complex.
Plant Cell, 33, 2021
7YTJ
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BU of 7ytj by Molmil
Cryo-EM structure of VTC complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ...
Authors:Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z.
Deposit date:2022-08-15
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex.
Nat Commun, 14, 2023
5WQN
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BU of 5wqn by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 (condition II)
Descriptor: Probable dehydrogenase
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
3F38
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BU of 3f38 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F32
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BU of 3f32 by Molmil
Horse spleen apoferritin
Descriptor: CADMIUM ION, Ferritin light chain, SULFATE ION
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F37
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BU of 3f37 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F33
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BU of 3f33 by Molmil
Apoferritin: complex with propofol
Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F35
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BU of 3f35 by Molmil
Apoferritin: complex with 2,6-diethylphenol
Descriptor: 2,6-diethylphenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F39
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BU of 3f39 by Molmil
Apoferritin: complex with phenol
Descriptor: CADMIUM ION, Ferritin light chain, PHENOL, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F36
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BU of 3f36 by Molmil
Apoferritin: complex with 2-isopropylphenol
Descriptor: 2-(1-methylethyl)phenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F34
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BU of 3f34 by Molmil
Apoferritin: complex with 2,6-diethylphenol
Descriptor: 2,6-diethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
7EPO
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BU of 7epo by Molmil
Ketosteroid Isomerase KSI with 5-nitrobenzoxazole (5NBI)
Descriptor: 5-nitro-1,2-benzoxazole, SnoaL-like domain-containing protein
Authors:Liang, Y, Zhang, Q, Bartlam, M.
Deposit date:2021-04-27
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase.
Biochem.Biophys.Res.Commun., 560, 2021
7EPN
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BU of 7epn by Molmil
Ketosteroid Isomerase KSI native
Descriptor: SnoaL-like domain-containing protein
Authors:Liang, Y, Zhang, Q, Bartlam, M.
Deposit date:2021-04-27
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase.
Biochem.Biophys.Res.Commun., 560, 2021
7FAR
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BU of 7far by Molmil
Crystal structure of PDE5A in complex with inhibitor L12
Descriptor: 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ...
Authors:Wu, D, Huang, Y.Y, Luo, H.B.
Deposit date:2021-07-07
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.40006471 Å)
Cite:Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
6JC4
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BU of 6jc4 by Molmil
Crystal structure of the urease accessory protein UreF from Klebsiella pneumoniae
Descriptor: Urease accessory protein UreF
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2019-01-28
Release date:2020-01-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the urease accessory protein UreF from Klebsiella pneumoniae.
Acta Crystallogr.,Sect.F, 78, 2022
7FAQ
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BU of 7faq by Molmil
Crystal structure of PDE5A in complex with inhibitor L1
Descriptor: 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.Y, Luo, H.B.
Deposit date:2021-07-07
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.200136 Å)
Cite:Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
6L94
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BU of 6l94 by Molmil
The structure of the dioxygenase ABH1 from mouse
Descriptor: FE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Xie, W, Wang, C, Li, H, Zhang, Y.
Deposit date:2019-11-08
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.10012341 Å)
Cite:ALKBH1 promotes lung cancer by regulating m6A RNA demethylation.
Biochem Pharmacol, 189, 2021
7DAW
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BU of 7daw by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase
Descriptor: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-18
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
7DB8
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BU of 7db8 by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845
Descriptor: N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-19
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
7DB7
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BU of 7db7 by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001
Descriptor: 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-19
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
4F3I
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BU of 4f3i by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Authors:Joshua, J, Zhou, M.-M, Plotnikov, A.N.
Deposit date:2012-05-09
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Down-regulation of NF-{kappa}B Transcriptional Activity in HIV-associated Kidney Disease by BRD4 Inhibition.
J.Biol.Chem., 287, 2012
7BZJ
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BU of 7bzj by Molmil
The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors
Descriptor: Leucine--tRNA ligase, [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
Authors:Liu, R.J, Li, H, Wang, E.D, Zhou, H.
Deposit date:2020-04-28
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors.
Bioorg.Med.Chem., 29, 2021
7ET5
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BU of 7et5 by Molmil
Crystal structure of Arabidopsis TEM1 AP2 domain
Descriptor: AP2/ERF and B3 domain-containing transcription repressor TEM1, SULFATE ION
Authors:Hu, H, Du, J.
Deposit date:2021-05-12
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.052 Å)
Cite:TEM1 combinatorially binds to FLOWERING LOCUS T and recruits a Polycomb factor to repress the floral transition in Arabidopsis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ET6
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BU of 7et6 by Molmil
Crystal structure of Arabidopsis TEM1 B3-DNA complex
Descriptor: AP2/ERF and B3 domain-containing transcription repressor TEM1, FT-RY14-F, FT-RY14-R
Authors:Hu, H, Du, J.
Deposit date:2021-05-12
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:TEM1 combinatorially binds to FLOWERING LOCUS T and recruits a Polycomb factor to repress the floral transition in Arabidopsis.
Proc.Natl.Acad.Sci.USA, 118, 2021

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數據於2024-09-25公開中

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