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4Z4D
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BU of 4z4d by Molmil
Human Argonaute2 Bound to t1-G Target RNA
Descriptor: ISOPROPYL ALCOHOL, MAGNESIUM ION, PHENOL, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
4FV1
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BU of 4fv1 by Molmil
Crystal Structure of the ERK2 complexed with EK4
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the ERK2 complexed with EK4
TO BE PUBLISHED
7BOG
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BU of 7bog by Molmil
Bacterial 30S ribosomal subunit assembly complex state E (body domain)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
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
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
3HPW
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BU of 3hpw by Molmil
CcdB dimer in complex with one C-terminal CcdA domain
Descriptor: Cytotoxic protein ccdB, DI(HYDROXYETHYL)ETHER, Protein ccdA, ...
Authors:De Jonge, N, Loris, R, Garcia-Pino, A, Buts, L.
Deposit date:2009-06-05
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:Rejuvenation of CcdB-Poisoned Gyrase by an Intrinsically Disordered Protein Domain.
Mol.Cell, 35, 2009
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
Descriptor: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-22
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
4GM9
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BU of 4gm9 by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-401
Descriptor: MM-401, WD repeat-containing protein 5
Authors:Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S.
Deposit date:2012-08-15
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human WD repeat domain 5 with compound MM-401
To be Published
6ZTQ
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BU of 6ztq by Molmil
Cryo-EM structure of respiratory complex I from Mus musculus inhibited by piericidin A at 3.0 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
Deposit date:2020-07-20
Release date:2020-10-21
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
4Z4C
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BU of 4z4c by Molmil
Human Argonaute2 Bound to t1-C Target RNA
Descriptor: ISOPROPYL ALCOHOL, MAGNESIUM ION, PHENOL, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
8HNS
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BU of 8hns by Molmil
Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form
Descriptor: GLYCEROL, anti-CRISPR protein AcrIIC4
Authors:Sun, W, Cheng, Z, Yang, J, Wang, Y.
Deposit date:2022-12-08
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
7BQ3
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BU of 7bq3 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW7647-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6ZR2
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BU of 6zr2 by Molmil
Cryo-EM structure of respiratory complex I in the active state from Mus musculus at 3.1 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
Deposit date:2020-07-10
Release date:2020-10-21
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
6SLM
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BU of 6slm by Molmil
Crystal structure of full-length HPV31 E6 oncoprotein in complex with LXXLL peptide of ubiquitin ligase E6AP
Descriptor: GLYCEROL, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, ...
Authors:Conrady, M, Gogl, G, Cousido-Siah, A, Mitschler, A, Trave, G, Simon, C.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of High-Risk Papillomavirus 31 E6 Oncogenic Protein and Characterization of E6/E6AP/p53 Complex Formation.
J.Virol., 95, 2020
7VQP
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BU of 7vqp by Molmil
Vitamin D receptor complexed with a lithocholic acid derivative
Descriptor: 3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, K, Numoto, N, Kagechika, H, Tanatani, A, Ito, N.
Deposit date:2021-10-20
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Lithocholic Acid Amides as Potent Vitamin D Receptor Agonists.
Biomolecules, 12, 2022
5JS2
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BU of 5js2 by Molmil
Human Argonaute-2 Bound to a Modified siRNA
Descriptor: MAGNESIUM ION, PHENOL, PHOSPHATE ION, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2016-05-07
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.954 Å)
Cite:Structural Analysis of Human Argonaute-2 Bound to a Modified siRNA Guide.
J.Am.Chem.Soc., 138, 2016
4Z4E
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BU of 4z4e by Molmil
Human Argonaute2 Bound to t1-U Target RNA
Descriptor: ISOPROPYL ALCOHOL, MAGNESIUM ION, PHENOL, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
4Z4G
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BU of 4z4g by Molmil
Human Argonaute2 Bound to t1-Inosine Target RNA
Descriptor: MAGNESIUM ION, PHENOL, Protein argonaute-2, ...
Authors:Schirle, N.T, MacRae, I.J.
Deposit date:2015-04-02
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets.
Elife, 4, 2015
5K3L
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BU of 5k3l by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
Authors:Huang, P, Rastinejad, F.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
To be published
7BQ4
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BU of 7bq4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ...
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
7BPZ
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BU of 7bpz by Molmil
X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6MJZ
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BU of 6mjz by Molmil
Cryo-EM structure of Human Parainfluenza Virus Type 3 (hPIV3) in complex with antibody PIA174
Descriptor: Fusion glycoprotein F0, PIA174 Fab Heavy chain, PIA174 Fab Light chain
Authors:Acharya, P, Stewart-Jones, G, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-09-24
Release date:2018-11-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure-based design of a quadrivalent fusion glycoprotein vaccine for human parainfluenza virus types 1-4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7TRB
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BU of 7trb by Molmil
CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE
Descriptor: (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator
Authors:Khan, J.A, Ruzanov, M.
Deposit date:2022-01-28
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
7BQ0
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BU of 7bq0 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Descriptor: 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
Deposit date:2020-03-23
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
7VUE
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BU of 7vue by Molmil
Structural insight of the molecular mechanism of cilofexor bound to FXR
Descriptor: 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Jiang, L, Chen, Y.C.
Deposit date:2021-11-02
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor.
Biochem.Biophys.Res.Commun., 595, 2022

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