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8T5Q
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BU of 8t5q by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
Descriptor: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
3FAA
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BU of 3faa by Molmil
Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor
Descriptor: N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide, PHOSPHATE ION, TGF-beta receptor type-1
Authors:Boriack-Sjodin, P.A, Fitch, C.
Deposit date:2008-11-16
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:2-Aminoimidazoles inhibitors of TGF-beta receptor 1.
Bioorg.Med.Chem.Lett., 19, 2009
6LR1
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BU of 6lr1 by Molmil
Hexachlorobenzene Monooxygenase (HcbA1) from Nocardioides sp. strain PD653
Descriptor: Hexachlorobenzene oxidative dehalogenase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-01-15
Release date:2020-01-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hexachlorobenzene Monooxygenase Substrate Selectivity and Catalysis: Structural and Biochemical Insights.
Appl.Environ.Microbiol., 87, 2020
5XGP
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BU of 5xgp by Molmil
structure of Sizzled from Xenopus laevis at 2.08 angstroms resolution
Descriptor: CHLORIDE ION, SULFATE ION, Secreted Xwnt8 inhibitor sizzled
Authors:Liu, H, Li, Z, Xu, F.
Deposit date:2017-04-15
Release date:2017-08-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.077 Å)
Cite:The crystal structure of full-length Sizzled from Xenopus laevis yields insights into Wnt-antagonistic function of secreted Frizzled-related proteins
J. Biol. Chem., 292, 2017
6VC2
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BU of 6vc2 by Molmil
LRH-1 bound to SS-RJW100 and a fragment of the Tif2 Coactivator
Descriptor: (1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2019-12-20
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Enantiomer-specific activities of an LRH-1 and SF-1 dual agonist.
Sci Rep, 10, 2020
7BIO
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BU of 7bio by Molmil
Crystal structure of monooxygenase RslO4 from Streptomyces bottropensis
Descriptor: ACETATE ION, ETHANOL, Monooxygenase/putative anthronoxygenase, ...
Authors:Zhang, L, Zuo, C, Alali, A, Bechthold, A, Einsle, O.
Deposit date:2021-01-12
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
Mol Biotechnol., 63, 2021
8SAH
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BU of 8sah by Molmil
Huntingtin C-HEAT domain in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Alteen, M.G, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2023-03-31
Release date:2023-04-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40.
Structure, 31, 2023
8JYD
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BU of 8jyd by Molmil
A genetically encoded sensor based on a bacterial DNA ligase
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase
Authors:Chen, L.
Deposit date:2023-07-03
Release date:2024-07-10
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Quantitative dynamics of intracellular NMN by genetically encoded biosensor.
Biosens.Bioelectron., 267, 2025
6GU1
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BU of 6gu1 by Molmil
SFI3 effector protein from the oomycete plant pathogen Phytophthora infestans
Descriptor: Secreted RxLR effector peptide protein, putative
Authors:Hughes, R.K, Banfield, M.J.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Phytophthora infestans effector SFI3 targets potato UBK to suppress early immune transcriptional responses.
New Phytol., 222, 2019
6E0F
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BU of 6e0f by Molmil
Mitochondrial peroxiredoxin from Leishmania infantum in complex with unfolding client protein after heat stress
Descriptor: mitochondrial 2-cys-peroxiredoxin
Authors:Teixeira, F, Tse, E, Makepeace, K.A.T, Borchers, C.H, Castro, H, Tomas, A.M, Poole, L.B, Southworth, D.R, Jakob, U.
Deposit date:2018-07-06
Release date:2019-02-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Chaperone activation and client binding of a 2-cysteine peroxiredoxin.
Nat Commun, 10, 2019
9DN3
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BU of 9dn3 by Molmil
Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in Complex with an Inhibitor 9-cylcopentyladenine
Descriptor: 9-cyclopentyl-9H-purin-6-amine, Inositol-tetrakisphosphate 1-kinase, SULFATE ION
Authors:Wang, H.
Deposit date:2024-09-16
Release date:2025-02-19
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Biochemical and biophysical characterization of inositol-tetrakisphosphate 1-kinase inhibitors.
J.Biol.Chem., 301, 2025
7CZA
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BU of 7cza by Molmil
Hexachlorobenzene monooxygenase (HcbA1) from Nocardioides sp. strain PD653 complexed with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Hexachlorobenzene oxidative dehalogenase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-09-07
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Hexachlorobenzene Monooxygenase Substrate Selectivity and Catalysis: Structural and Biochemical Insights.
Appl.Environ.Microbiol., 87, 2020
3KPX
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BU of 3kpx by Molmil
Crystal Structure Analysis of photoprotein clytin
Descriptor: Apophotoprotein clytin-3, C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION
Authors:Titushin, M.S, Li, Y, Stepanyuk, G.A, Wang, B.-C, Lee, J, Vysotski, E.S, Liu, Z.-J.
Deposit date:2009-11-17
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:NMR derived topology of a GFP-photoprotein energy transfer complex
J.Biol.Chem., 285, 2010
1TVO
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BU of 1tvo by Molmil
The structure of ERK2 in complex with a small molecule inhibitor
Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1
Authors:Kinoshita, T.
Deposit date:2004-06-30
Release date:2005-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a selective ERK inhibitor and structural determination of the inhibitor-ERK2 complex
Biochem.Biophys.Res.Commun., 336, 2005
3MG4
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BU of 3mg4 by Molmil
Structure of yeast 20S proteasome with Compound 1
Descriptor: (2S)-2-amino-N-[(1S)-1-({(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-04-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
3MG6
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BU of 3mg6 by Molmil
Structure of yeast 20S open-gate proteasome with Compound 6
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-L-threoninamide, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
3MG0
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BU of 3mg0 by Molmil
Structure of yeast 20S proteasome with bortezomib
Descriptor: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome component C1, Proteasome component C11, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
3MG8
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BU of 3mg8 by Molmil
Structure of yeast 20S open-gate proteasome with Compound 16
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
3MG7
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BU of 3mg7 by Molmil
Structure of yeast 20S open-gate proteasome with Compound 8
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide, MAGNESIUM ION, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
7WGQ
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BU of 7wgq by Molmil
X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization
Descriptor: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma
Authors:Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
Deposit date:2021-12-28
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGP
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BU of 7wgp by Molmil
X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid co-crystals obtained by co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma
Authors:Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
Deposit date:2021-12-28
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGN
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BU of 7wgn by Molmil
X-ray structure of human PPAR delta ligand binding domain-pemafibrate co-crystals obtained by co-crystallization
Descriptor: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
Authors:Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
Deposit date:2021-12-28
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGO
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BU of 7wgo by Molmil
X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained by co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Isoform 1 of Peroxisome proliferator-activated receptor gamma
Authors:Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
Deposit date:2021-12-28
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGL
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BU of 7wgl by Molmil
X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals obtained by co-crystallization
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
Authors:Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
Deposit date:2021-12-28
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
4UQH
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BU of 4uqh by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
Descriptor: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ...
Authors:Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2014-06-23
Release date:2014-08-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014

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