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8FHV
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BU of 8fhv by Molmil
Structure of Lettuce aptamer bound to DFHBI-1T with thallium I ions
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
5IKZ
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BU of 5ikz by Molmil
Glycerol bound structure of Obc1, a bifunctional enzyme for quorum sensing-dependent oxalogenesis
Descriptor: GLYCEROL, MAGNESIUM ION, Oxalate biosynthetic component 1
Authors:Oh, J, Rhee, S.
Deposit date:2016-03-04
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into an Oxalate-producing Serine Hydrolase with an Unusual Oxyanion Hole and Additional Lyase Activity
J.Biol.Chem., 291, 2016
5IM2
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BU of 5im2 by Molmil
Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate
Descriptor: BENZOIC ACID, Twin-arginine translocation pathway signal
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2016-03-05
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate
To be published
8FXF
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BU of 8fxf by Molmil
Crystal structure of the coiled-coil domain of TRIM56
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase TRIM56
Authors:Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
Deposit date:2023-01-24
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:TRIM56 coiled-coil domain structure provides insights into its E3 ligase functions.
Comput Struct Biotechnol J, 21, 2023
5I6D
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BU of 5i6d by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid]
Descriptor: 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ...
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
8FOV
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BU of 8fov by Molmil
AbeH (Tryptophan-5-halogenase) bound to FAD and Cl
Descriptor: ACETATE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ashaduzzaman, M, Bellizzi, J.J.
Deposit date:2023-01-03
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
5I7A
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BU of 5i7a by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid]
Descriptor: 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-17
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
7V6M
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BU of 7v6m by Molmil
Crystal structure of lacto-N-biosidase TnX from Tynzenella nexilis, lacto-N-biose complex
Descriptor: Fibronectin type III domain-containing protein, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yamada, C, Fushinobu, S.
Deposit date:2021-08-20
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of glycoside hydrolase family 136 lacto-N-biosidases from monkey gut- and human adult gut bacteria.
Biosci.Biotechnol.Biochem., 86, 2022
8FZA
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BU of 8fza by Molmil
Class I type III preQ1 riboswitch from E. coli
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PreQ1 Riboswitch (30-MER)
Authors:Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
Deposit date:2023-01-27
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function analysis of a type III preQ 1 -I riboswitch from Escherichia coli reveals direct metabolite sensing by the Shine-Dalgarno sequence.
J.Biol.Chem., 299, 2023
7VWF
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BU of 7vwf by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist TIPP204
Descriptor: (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
5IOY
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BU of 5ioy by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)pyrrolidine-1-carboxamide at 1.77A resolution
Descriptor: N-(cyclopentylmethyl)pyrrolidine-1-carboxamide, SULFATE ION, TetR-family transcriptional regulatory repressor protein
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
7V6I
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BU of 7v6i by Molmil
Crystal structure of lacto-N-biosidase BsaX from Bifidobacterium saguini, lacto-N-biose complex
Descriptor: Lacto-N-biosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yamada, C, Fushinobu, S.
Deposit date:2021-08-20
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structures of glycoside hydrolase family 136 lacto-N-biosidases from monkey gut- and human adult gut bacteria.
Biosci.Biotechnol.Biochem., 86, 2022
5IPA
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BU of 5ipa by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with (E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one at 1.78A resolution
Descriptor: (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one, TetR-family transcriptional regulatory repressor protein
Authors:Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2016-03-09
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
7VWG
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BU of 7vwg by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic alpha/delta dual agonist JKPL38
Descriptor: (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VC7
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BU of 7vc7 by Molmil
The structure of beta-xylosidase from Phanerochaete chrysosporium(PcBxl3)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Kojima, K, Sunagawa, N, Igarashi, K.
Deposit date:2021-09-01
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Comparison of glycoside hydrolase family 3 beta-xylosidases from basidiomycetes and ascomycetes reveals evolutionarily distinct xylan degradation systems.
J.Biol.Chem., 298, 2022
5ICN
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BU of 5icn by Molmil
HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4
Descriptor: GLY-ALA-6A0-ARG-HIS, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Millard, C.J, Robertson, N.S, Watson, P.J, Jameson, A.G, Schwabe, J.W.R.
Deposit date:2016-02-23
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Insights into the activation mechanism of class I HDAC complexes by inositol phosphates.
Nat Commun, 7, 2016
8FEW
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BU of 8few by Molmil
Flavanone 4-Reductase from Sorghum bicolor-naringenin complex
Descriptor: 3-deoxyanthocyanidin synthase, NARINGENIN, SULFATE ION
Authors:Zhang, B, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
8FII
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BU of 8fii by Molmil
Wild type APOBEC3A in complex with TT(FdZ)-hairpin inhibitor (crystal form 1)
Descriptor: DNA (5'-D(P*GP*CP*GP*CP*TP*TP*(UFP)P*GP*CP*GP*C)-3'), DNA dC->dU-editing enzyme APOBEC-3A, PHOSPHATE ION, ...
Authors:Harjes, S, Jameson, G.B, Harjes, E, Filichev, V.V, Kurup, H.M.
Deposit date:2022-12-16
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells
To Be Published
7VWH
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BU of 7vwh by Molmil
human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist JKPL39
Descriptor: (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
8FIJ
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BU of 8fij by Molmil
Wild type APOBEC3A in complex with TT(FdZ)-hairpin inhibitor (crystal form 2)
Descriptor: DNA (5'-D(*GP*CP*GP*CP*TP*TP*(UFP)P*GP*CP*GP*CP*T)-3'), DNA dC->dU-editing enzyme APOBEC-3A, PHOSPHATE ION, ...
Authors:Harjes, S, Jameson, G.B, Harjes, E, Filichev, V.V, Kurup, H.M.
Deposit date:2022-12-16
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells
To Be Published
7VZ2
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BU of 7vz2 by Molmil
Crystal structure of chromodomain of Arabidopsis LHP1
Descriptor: Chromo domain-containing protein LHP1, UNKNOWN ATOM OR ION
Authors:Liu, Y, Min, J.
Deposit date:2021-11-15
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the recognition of methylated histone H3 by the Arabidopsis LHP1 chromodomain.
J.Biol.Chem., 298, 2022
8FIM
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BU of 8fim by Molmil
Structure of APOBEC3A (E72A inactive mutant) in complex with TTC-hairpin DNA substrate
Descriptor: CHLORIDE ION, DNA (5'-D(*TP*GP*CP*GP*CP*TP*TP*CP*GP*CP*GP*CP*T)-3'), DNA dC->dU-editing enzyme APOBEC-3A, ...
Authors:Harjes, S, Jameson, G.B, Harjes, E, Filichev, V.V, Kurup, H.M.
Deposit date:2022-12-16
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells
To Be Published
7VWE
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BU of 7vwe by Molmil
Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic partial agonist JK122
Descriptor: 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Miyachi, H.
Deposit date:2021-11-10
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.
Acta Crystallogr.,Sect.F, 78, 2022
7VJZ
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BU of 7vjz by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 1.90 A resolution-7
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Tokay, N.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7VK7
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BU of 7vk7 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 2.4 A resolution-11
Descriptor: 3C-like proteinase
Authors:DeMirci, H, Dag, C.
Deposit date:2021-09-29
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021

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PDB entries from 2024-07-17

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