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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
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
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
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
3LA1
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BU of 3la1 by Molmil
High resolution crystal structure of CyPet mutant A167I
Descriptor: Green fluorescent protein, SODIUM ION
Authors:Hu, X.
Deposit date:2010-01-06
Release date:2011-01-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure of CyPet
To be Published
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
4OAF
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BU of 4oaf by Molmil
Crystal structure of the cytosolic domain of mouse MiD51
Descriptor: Mitochondrial dynamic protein MID51
Authors:Loson, O.C, Kaiser, J.T, Chan, D.C.
Deposit date:2014-01-04
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Mitochondrial Fission Receptor MiD51 Requires ADP as a Cofactor.
Structure, 22, 2014
4OAI
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BU of 4oai by Molmil
Crystal structure of the cytosolic domain of mouse MiD51 dimer mutant
Descriptor: Mitochondrial dynamic protein MID51, SULFATE ION
Authors:Loson, O.C, Kaiser, J.T, Chan, D.C.
Deposit date:2014-01-04
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Mitochondrial Fission Receptor MiD51 Requires ADP as a Cofactor.
Structure, 22, 2014
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
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
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
7ET4
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BU of 7et4 by Molmil
Crystal structure of Arabidopsis TEM1 AP2 domain
Descriptor: AP2/ERF and B3 domain-containing transcription repressor TEM1, DNA (12-mer)
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
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
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
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
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
5DV4
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BU of 5dv4 by Molmil
Crystal structure of human CNOT6L in complex with neomycin
Descriptor: CCR4-NOT transcription complex subunit 6-like, NEOMYCIN, SULFATE ION
Authors:Zhang, Q, Bartlam, M.
Deposit date:2015-09-21
Release date:2016-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for inhibition of the deadenylase activity of human CNOT6L
Febs Lett., 590, 2016
5DJT
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BU of 5djt by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk2
Descriptor: CHLORIDE ION, COPPER (II) ION, Engineered protein, ...
Authors:Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
6IN8
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BU of 6in8 by Molmil
Crystal structure of MucB
Descriptor: Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019

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