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7OB8
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BU of 7ob8 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBT
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BU of 7obt by Molmil
Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBD
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BU of 7obd by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OB5
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BU of 7ob5 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBC
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BU of 7obc by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7NVQ
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BU of 7nvq by Molmil
Aerosol-soaked human cdk2 crystals with Staurosporine
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE
Authors:Ross, B, Huber, R.
Deposit date:2021-03-15
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
5WRZ
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BU of 5wrz by Molmil
Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor
Descriptor: 7-fluoranyl-4-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-phthalazin-1-one, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-04
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor
To Be Published
2V4O
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BU of 2v4o by Molmil
Crystal structure of Salmonella typhimurium SurE at 2.75 angstrom resolution in monoclinic form
Descriptor: GLYCEROL, MAGNESIUM ION, MULTIFUNCTIONAL PROTEIN SUR E, ...
Authors:Anju, P, Savithri, H.S, Murthy, M.R.N.
Deposit date:2008-09-26
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural and Functional Studies on a Mesophilic Stationary Phase Survival Protein (Sur E) from Salmonella Typhimurium
FEBS J., 275, 2008
4FKI
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BU of 4fki by Molmil
Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
Descriptor: Cyclin-dependent kinase 2, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Cdk2 in Complex with Aminopyrazole Inhibitor
To be Published
4FKT
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BU of 4fkt by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: Cyclin-dependent kinase 2, N-[2-(dimethylamino)ethyl]-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKQ
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BU of 4fkq by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide, Cyclin-dependent kinase 2, GLYCEROL
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
3DUH
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BU of 3duh by Molmil
Structure of Interleukin-23
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha
Authors:Lupardus, P.J, Garcia, K.C.
Deposit date:2008-07-17
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12.
J.Mol.Biol., 382, 2008
5WS0
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BU of 5ws0 by Molmil
Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
Descriptor: 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-04
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
5WRQ
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BU of 5wrq by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-03
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
4FKG
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BU of 4fkg by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
Descriptor: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid, Cyclin-dependent kinase 2
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4FKU
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BU of 4fku by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, Cyclin-dependent kinase 2, GLYCEROL
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
4FKS
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BU of 4fks by Molmil
Crystal structure of the cdk2 in complex with oxindole inhibitor
Descriptor: Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-13
Release date:2013-05-08
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the cdk2 in complex with oxindole inhibitor
To be Published
5WS1
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BU of 5ws1 by Molmil
Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
Descriptor: 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-04
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
4B23
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BU of 4b23 by Molmil
Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2
Descriptor: 5'-D(*CP*GP*AP*TP*TP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*AP*AP*TP*CP*GP)-3', MAG2, ...
Authors:Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M.
Deposit date:2012-07-12
Release date:2013-01-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2.
Structure, 21, 2013
5WRY
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BU of 5wry by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]-2-fluorobenzamide, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
Deposit date:2016-12-04
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
7D1M
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BU of 7d1m by Molmil
CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X.
Deposit date:2020-09-14
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
2V4N
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BU of 2v4n by Molmil
Crystal structure of Salmonella typhimurium SurE at 1.7 angstrom resolution in orthorhombic form
Descriptor: GLYCEROL, MAGNESIUM ION, MULTIFUNCTIONAL PROTEIN SUR E, ...
Authors:Anju, P, Savithri, H.S, Murthy, M.R.N.
Deposit date:2008-09-26
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Studies on a Mesophilic Stationary Phase Survival Protein (Sur E) from Salmonella Typhimurium
FEBS J., 275, 2008
7QZJ
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BU of 7qzj by Molmil
1.55 A X-ray crystallographic structure of SapH from Streptomyces sp. (HPH0547) involved in Pseudouridimycin biosynthesis
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, GLYCEROL, ...
Authors:Schnell, R, Schneider, G.
Deposit date:2022-01-31
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Pseudouridine-Modifying Enzymes SapB and SapH Control Entry into the Pseudouridimycin Biosynthetic Pathway.
Acs Chem.Biol., 18, 2023
7MK2
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BU of 7mk2 by Molmil
CryoEM Structure of NPR1
Descriptor: Regulatory protein NPR1, ZINC ION
Authors:Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P.
Deposit date:2021-04-21
Release date:2022-03-16
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7NR4
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BU of 7nr4 by Molmil
X-RAY STRUCTURE OF PRMT6 IN COMPLEX WITH indazole type inhibitor
Descriptor: (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Steuber, H.
Deposit date:2021-03-02
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Rational Design and Synthesis of Selective PRMT4 Inhibitors: A New Chemotype for Development of Cancer Therapeutics*.
Chemmedchem, 16, 2021

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数据于2024-07-31公开中

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