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4I9R
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BU of 4i9r by Molmil
Crystal Structure of the R111K:R132L:Y134F:T54V:R59W:A32W Mutant of the Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans Retinal at 2.6 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2012-12-05
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Rational Design of a Colorimetric pH Sensor from a Soluble Retinoic Acid Chaperone.
J.Am.Chem.Soc., 135, 2013
7DTR
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BU of 7dtr by Molmil
Structure of an AcrIF protein
Descriptor: AcrIF24
Authors:Yue, F, Peipei, Y.
Deposit date:2021-01-06
Release date:2022-01-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
4JQ6
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BU of 4jq6 by Molmil
Crystal structure of blue light-absorbing proteorhodopsin from Med12 at 2.3 Angstrom
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Proteorhodopsin, RETINAL
Authors:Ozorowski, G, Luecke, H.
Deposit date:2013-03-20
Release date:2013-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cross-protomer interaction with the photoactive site in oligomeric proteorhodopsin complexes.
Acta Crystallogr.,Sect.D, 69, 2013
8XKL
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BU of 8xkl by Molmil
Structure of ACPII-CCPII from cryptophyte algae
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ...
Authors:Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y.
Deposit date:2023-12-23
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Nat Commun, 15, 2024
5TIH
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BU of 5tih by Molmil
Structural basis for inhibition of erythrocyte invasion by antibodies to Plasmodium falciparum protein CyRPA
Descriptor: ACETATE ION, CyRPA antibody Fab Heavy Chain, CyRPA antibody Fab Light Chain, ...
Authors:Chen, L, Xu, Y, Wang, W, Thompson, J.K, Goddard-Borger, E, Lawrence, M.C, Cowman, A.F.
Deposit date:2016-10-03
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural basis for inhibition of erythrocyte invasion by antibodies toPlasmodium falciparumprotein CyRPA.
Elife, 6, 2017
8IM6
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BU of 8im6 by Molmil
Crystal structure of HCoV 229E main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhou, Y.R, Zeng, P, Zhang, J, Li, J.
Deposit date:2023-03-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
8JF4
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BU of 8jf4 by Molmil
The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
Descriptor: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
Authors:Zhu, C.J.
Deposit date:2023-05-17
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89288354 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JF3
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BU of 8jf3 by Molmil
C-Src in complex with compound 9
Descriptor: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Zhang, Z.M, Huang, H.S.
Deposit date:2023-05-17
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.84647632 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JG8
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BU of 8jg8 by Molmil
The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
Descriptor: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-05-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.90002346 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
4M6S
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BU of 4m6s by Molmil
Crystal structure of the R111K:R132Y:Y134F:T54V:R59W:A32W mutant of the Cellular Retinoic Acid Binding Protein Type II in complex with All-Trans Retinal at 2.38 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2013-08-10
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Rational Design of a Colorimetric pH Sensor from a Soluble Retinoic Acid Chaperone.
J.Am.Chem.Soc., 135, 2013
4M7M
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BU of 4m7m by Molmil
Crystal structure of the R111K:R132Q:Y134F:T54V:R59W:A32W mutant of the Cellular Retinoic Acid Binding Protein Type II in complex with All-Trans Retinal at 2.57 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Nosrati, M, Geiger, J.H.
Deposit date:2013-08-12
Release date:2013-10-09
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.571 Å)
Cite:Rational Design of a Colorimetric pH Sensor from a Soluble Retinoic Acid Chaperone.
J.Am.Chem.Soc., 135, 2013
8HQ8
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BU of 8hq8 by Molmil
Bry-LHCII homotrimer of Bryopsis corticulans
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2022-12-13
Release date:2023-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
8HPD
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BU of 8hpd by Molmil
Bry-LHCII heterotrimer of Bryopsis corticulans
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ...
Authors:Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
8HLV
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BU of 8hlv by Molmil
Bry-LHCII homotrimer of Bryopsis corticulans
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ...
Authors:Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2022-12-01
Release date:2023-09-06
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
8I8Y
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BU of 8i8y by Molmil
A mutant of the C-terminal complex of proteins 4.1G and NuMA
Descriptor: Engineered protein
Authors:Hu, X.
Deposit date:2023-02-06
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
5TIK
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BU of 5tik by Molmil
Structural basis for inhibition of erythrocyte invasion by antibodies to Plasmodium falciparum protein CyRPA
Descriptor: Cysteine-rich protective antigen
Authors:Chen, L, Xu, Y, Wang, W, Thompson, J.K, Goddard-Borger, E, Lawrence, M.C, Cowman, A.F.
Deposit date:2016-10-03
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural basis for inhibition of erythrocyte invasion by antibodies toPlasmodium falciparumprotein CyRPA.
Elife, 6, 2017
4O27
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BU of 4o27 by Molmil
Crystal structure of MST3-MO25 complex with WIF motif
Descriptor: 5-mer peptide from serine/threonine-protein kinase 24, ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, ...
Authors:Hao, Q, Feng, M, Zhou, Z.C.
Deposit date:2013-12-16
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.185 Å)
Cite:Structural insights into regulatory mechanisms of MO25-mediated kinase activation.
J.Struct.Biol., 186, 2014
4NZW
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BU of 4nzw by Molmil
Crystal Structure of STK25-MO25 Complex
Descriptor: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase 25
Authors:Feng, M, Hao, Q, Zhou, Z.C.
Deposit date:2013-12-13
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.583 Å)
Cite:Structural insights into regulatory mechanisms of MO25-mediated kinase activation.
J.Struct.Biol., 186, 2014
2LKH
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BU of 2lkh by Molmil
WSA minor conformation
Descriptor: Acetylcholine receptor
Authors:Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J, Saven, J.G, Eckenhoff, R, Tang, P.
Deposit date:2011-10-11
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.
Biochim.Biophys.Acta, 1818, 2011
2LKG
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BU of 2lkg by Molmil
WSA major conformation
Descriptor: Acetylcholine receptor
Authors:Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J.M, Saven, J.G, Eckenhoff, R, Tang, P.
Deposit date:2011-10-11
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.
Biochim.Biophys.Acta, 1818, 2011
5XKU
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BU of 5xku by Molmil
Crystal structure of hemagglutinin globular head from an H7N9 influenza virus in complex with a neutralizing antibody HNIgGA6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HNIgGA6 heavy chain, HNIgGA6 light chain, ...
Authors:Chen, C, Wang, J, Wang, W, Gao, X, Cui, S, Jin, Q.
Deposit date:2017-05-09
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insight into a Human Neutralizing Antibody against Influenza Virus H7N9
J. Virol., 92, 2018
1DCP
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BU of 1dcp by Molmil
DCOH, A BIFUNCTIONAL PROTEIN-BINDING TRANSCRIPTIONAL COACTIVATOR, COMPLEXED WITH BIOPTERIN
Descriptor: 7,8-DIHYDROBIOPTERIN, DCOH
Authors:Cronk, J.D, Endrizzi, J.A, Alber, T.
Deposit date:1996-05-16
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-resolution structures of the bifunctional enzyme and transcriptional coactivator DCoH and its complex with a product analogue.
Protein Sci., 5, 1996
7K7L
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BU of 7k7l by Molmil
Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: 3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Spurlino, J.C, Milligan, C.
Deposit date:2020-09-23
Release date:2020-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.539 Å)
Cite:Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor.
Bioorg.Med.Chem.Lett., 30, 2020
7K7Z
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BU of 7k7z by Molmil
Structure of a hit for G Protein Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Descriptor: 3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Spurlino, J.C, Milligan, C.
Deposit date:2020-09-24
Release date:2020-10-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.606087 Å)
Cite:Hit-to-lead optimization and discovery of a potent, and orally bioavailable G protein coupled receptor kinase 2 (GRK2) inhibitor.
Bioorg.Med.Chem.Lett., 30, 2020
7K2U
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BU of 7k2u by Molmil
DHODH IN COMPLEX WITH LIGAND 13
Descriptor: 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Shaffer, P.L.
Deposit date:2020-09-09
Release date:2020-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Bioorg.Med.Chem.Lett., 30, 2020

224572

數據於2024-09-04公開中

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