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PDB: 1216 results

5RL1
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BU of 5rl1 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-27 (Mpro-x3113)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-08-05
Release date:2020-12-02
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
4EAG
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BU of 4eag by Molmil
Co-crystal structure of an chimeric AMPK core with ATP
Descriptor: 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
Deposit date:2012-03-22
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
4EAL
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BU of 4eal by Molmil
Co-crystal of AMPK core with ATP soaked with AMP
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
Deposit date:2012-03-22
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
5RL5
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BU of 5rl5 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-30 (Mpro-x3359)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-08-05
Release date:2020-12-02
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
6NKH
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BU of 6nkh by Molmil
Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
Descriptor: Short chain dehydrogenase
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
1F1F
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BU of 1f1f by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C6 FROM ARTHROSPIRA MAXIMA
Descriptor: CYTOCHROME C6, HEME C
Authors:Kerfeld, C.A, Serag, A.A, Sawaya, M.R, Krogmann, D.W, Yeates, T.O.
Deposit date:2000-05-18
Release date:2001-08-08
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of cytochrome c-549 and cytochrome c6 from the cyanobacterium Arthrospira maxima.
Biochemistry, 40, 2001
5RL3
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BU of 5rl3 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-39 (Mpro-x3117)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-08-05
Release date:2020-12-02
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
5RL2
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BU of 5rl2 by Molmil
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-26 (Mpro-x3115)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-08-05
Release date:2020-12-02
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
2HFW
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BU of 2hfw by Molmil
Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III
Descriptor: Carbonic anhydrase 3, ZINC ION
Authors:Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N.
Deposit date:2006-06-26
Release date:2007-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
4EAK
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BU of 4eak by Molmil
Co-crystal structure of an AMPK core with ATP
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
Deposit date:2012-03-22
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
5OOL
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BU of 5ool by Molmil
Structure of a native assembly intermediate of the human mitochondrial ribosome with unfolded interfacial rRNA
Descriptor: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Brown, A, Rathore, S, Kimanius, D, Aibara, S, Bai, X.C, Rorbach, J, Amunts, A, Ramakrishnan, V.
Deposit date:2017-08-08
Release date:2017-09-13
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structures of the human mitochondrial ribosome in native states of assembly.
Nat. Struct. Mol. Biol., 24, 2017
7LC2
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BU of 7lc2 by Molmil
Crystal Structure of KRAS4b-Q61R (GMPPNP-bound) in complex with the RAS-binding domain (RBD) of SIN1
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2021-01-09
Release date:2021-07-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LC1
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BU of 7lc1 by Molmil
Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2021-01-09
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity.
Proc.Natl.Acad.Sci.USA, 118, 2021
5OSM
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BU of 5osm by Molmil
Cdk2(F80C, C177A) with covalent adduct at C80
Descriptor: Cyclin-dependent kinase 2, methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
8T71
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BU of 8t71 by Molmil
Crystal Structure of WT KRAS4a with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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BU of 8t72 by Molmil
Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8PV0
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BU of 8pv0 by Molmil
Crystal structure of tropomyosin (Cdc8) cables, Conformers 2 and 3
Descriptor: Tropomyosin
Authors:Reinke, P.Y.A, Zahn, M, Fedorov, R, Manstein, D.J.
Deposit date:2023-07-17
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Atomic structure of tropomyosin cables
To Be Published
8PUZ
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BU of 8puz by Molmil
Crystal structure of tropomyosin (Cdc8) cables, Conformer 1
Descriptor: Tropomyosin
Authors:Reinke, P.Y.A, Zahn, M, Fedorov, R, Manstein, D.J.
Deposit date:2023-07-17
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic structure of cdc8 tropomyosin cables
To Be Published
3ZNV
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BU of 3znv by Molmil
Crystal structure of the OTU domain of OTULIN at 1.3 Angstroms.
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Keusekotten, K, Elliott, P.R, Glockner, L, Kulathu, Y, Wauer, T, Krappmann, D, Hofmann, K, Komander, D.
Deposit date:2013-02-18
Release date:2013-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Otulin Antagonizes Lubac Signaling by Specifically Hydrolyzing met1-Linked Polyubiquitin.
Cell(Cambridge,Mass.), 153, 2013
4A7N
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BU of 4a7n by Molmil
Structure of bare F-actin filaments obtained from the same sample as the Actin-Tropomyosin-Myosin Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, F-ACTIN
Authors:Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S.
Deposit date:2011-11-14
Release date:2012-08-01
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (8.9 Å)
Cite:Structure of the Rigor Actin-Tropomyosin-Myosin Complex.
Cell(Cambridge,Mass.), 150, 2012
8U1N
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BU of 8u1n by Molmil
Cryo-EM structure of the cross-linked HSP90 dimer (NTD-MD) in the semi-open state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, MAGNESIUM ION
Authors:Finci, L.I, Simanshu, D.K.
Deposit date:2023-09-01
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
8U1M
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BU of 8u1m by Molmil
Cryo-EM structure of the HSP90 dimer (NTD-MD) in the semi-open state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, MAGNESIUM ION
Authors:Finci, L.I, Simanshu, D.K.
Deposit date:2023-09-01
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
8U1L
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BU of 8u1l by Molmil
Cryo-EM structure of the RAF1-HSP90-CDC37 complex in the closed state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, Hsp90 co-chaperone Cdc37, ...
Authors:Finci, L.I, Simanshu, D.K.
Deposit date:2023-09-01
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
5OO1
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BU of 5oo1 by Molmil
Cdk2(F80C, C177A) covalent adduct with C37 at F80C
Descriptor: Cyclin-dependent kinase 2, ~{N}-(4-pyrimidin-2-ylphenyl)propanamide
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2017-08-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-throughput kinetic analysis for target-directed covalent ligand discovery
To be published
5OOM
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BU of 5oom by Molmil
Structure of a native assembly intermediate of the human mitochondrial ribosome with unfolded interfacial rRNA
Descriptor: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Brown, A, Rathore, S, Kimanius, D, Aibara, S, Bai, X.C, Rorbach, J, Amunts, A, Ramakrishnan, V.
Deposit date:2017-08-08
Release date:2017-09-13
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structures of the human mitochondrial ribosome in native states of assembly.
Nat. Struct. Mol. Biol., 24, 2017

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