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7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
Descriptor: 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, Hypocretin receptor type 2, ...
Authors:Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
Deposit date:2021-11-08
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
4IGH
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BU of 4igh by Molmil
High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog
Descriptor: 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), ...
Authors:Deng, X, Das, P, Fontoura, B.M.A, Phillips, M.A, De Brabander, J.K.
Deposit date:2012-12-17
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity.
ACS MED.CHEM.LETT., 4, 2013
6BM7
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BU of 6bm7 by Molmil
Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with pyrimidineamine inhibitor UTSAM568
Descriptor: 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium, ...
Authors:Volkov, O.A, Chen, Z, Phillips, M.A.
Deposit date:2017-11-13
Release date:2018-01-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase.
J. Med. Chem., 61, 2018
6UOX
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BU of 6uox by Molmil
Structure of itraconazole-bound NPC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one, ...
Authors:Long, T, Li, X.
Deposit date:2019-10-15
Release date:2020-01-15
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:Structural basis for itraconazole-mediated NPC1 inhibition.
Nat Commun, 11, 2020
5F74
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BU of 5f74 by Molmil
Crystal structure of ChREBP:14-3-3 complex bound with AMP
Descriptor: 14-3-3 protein beta/alpha, ADENOSINE MONOPHOSPHATE, Carbohydrate-responsive element-binding protein
Authors:Jung, H, Uyeda, K.
Deposit date:2015-12-07
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Metabolite Regulation of Nuclear Localization of Carbohydrate-response Element-binding Protein (ChREBP): ROLE OF AMP AS AN ALLOSTERIC INHIBITOR.
J.Biol.Chem., 291, 2016
8U27
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BU of 8u27 by Molmil
Bcl-2-xL complexed with compound 35
Descriptor: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
Authors:Rizo, J, Pan, Y.-Z.
Deposit date:2023-09-05
Release date:2023-09-13
Last modified:2023-11-08
Method:SOLUTION NMR
Cite:Structural insights for selective disruption of Beclin 1 binding to Bcl-2.
Commun Biol, 6, 2023
8T1Q
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BU of 8t1q by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 1
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
8T1R
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BU of 8t1r by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 2
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
6MJL
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BU of 6mjl by Molmil
Crystal structure of ChREBP NLS peptide bound to importin alpha.
Descriptor: ChREBP Peptide ASN-TYR-TRP-LYS-ARG-ARG-ILE-GLU-VAL, Importin subunit alpha-1
Authors:Jung, H, Uyeda, K.
Deposit date:2018-09-21
Release date:2019-09-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of importin alpha and the nuclear localization peptide of ChREBP, and small compound inhibitors of ChREBP-importin alpha interactions.
Biochem.J., 477, 2020
7SQO
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BU of 7sqo by Molmil
Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:McGrath, A.P, Kang, Y, Flinspach, M.
Deposit date:2021-11-05
Release date:2022-05-25
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022

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PDB entries from 2024-03-27

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