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3L1Q
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BU of 3l1q by Molmil
The crystal structure of the undecamer d(TGGCCTTAAGG)
Descriptor: 5'-D(*TP*GP*GP*CP*CP*TP*TP*AP*AP*GP*G)-3'
Authors:Van Hecke, K.
Deposit date:2009-12-14
Release date:2010-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Designing Triple Helical Fragments: The Crystal Structure of the Undecamer d(TGGCCTTAAGG) Mimicking T·AT Base Triplets
Cryst.Growth Des., 10, 2010
5EXW
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BU of 5exw by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ATP
Descriptor: 7-deazaadenosine-5'-triphosphate, 78 kDa glucose-regulated protein
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-24
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
8AXV
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BU of 8axv by Molmil
Structure of an open form of CHIKV nsP1 capping pores
Descriptor: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, ZINC ION, mRNA-capping enzyme nsP1
Authors:Reguera, J, Jones, R, Hons, M.
Deposit date:2022-09-01
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores.
Proc.Natl.Acad.Sci.USA, 120, 2023
7A1A
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BU of 7a1a by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
Descriptor: Amidohydrolase 2, CALCIUM ION, MAGNESIUM ION
Authors:Hofer, G, Keller, W.
Deposit date:2020-08-12
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
6ZMT
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BU of 6zmt by Molmil
SARS-CoV-2 Nsp1 bound to a pre-40S-like ribosome complex
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-03
Release date:2020-08-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZO4
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BU of 6zo4 by Molmil
The pointed end complex of dynactin bound to BICD2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Lau, C.K, Lacey, S.E, Carter, A.P.
Deposit date:2020-07-07
Release date:2020-07-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
8AVF
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BU of 8avf by Molmil
Human leptin in complex with the human LEP-R ectodomain fused to a C-terminal trimeric isoleucine GCN4 zipper (closed 3:3 model)
Descriptor: Leptin, Leptin receptor
Authors:Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
Deposit date:2022-08-26
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (6.45 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
5EA9
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BU of 5ea9 by Molmil
Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ...
Authors:Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K.
Deposit date:2015-10-15
Release date:2016-10-19
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
6ZP0
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BU of 6zp0 by Molmil
Structure of SARS-CoV-2 Spike Protein Trimer (single Arg S1/S2 cleavage site) in Closed State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
7A5O
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BU of 7a5o by Molmil
Human MUC2 AAs 21-1397
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D.
Deposit date:2020-08-21
Release date:2020-10-21
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
Descriptor: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
Authors:Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
8AVC
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BU of 8avc by Molmil
Mouse leptin:LEP-R complex cryoEM structure (3:3 model)
Descriptor: Leptin, Leptin receptor, NICKEL (II) ION
Authors:Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
Deposit date:2022-08-26
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
7A7C
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BU of 7a7c by Molmil
Cryo-EM structure of W107R after heme uptake (1heme molecule) KatG from M. tuberculosis
Descriptor: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Blundell, T.L, Chaplin, A.K, Munir, A.
Deposit date:2020-08-27
Release date:2021-01-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.
Structure, 29, 2021
5EC0
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BU of 5ec0 by Molmil
Crystal Structure of Actin-like protein Alp7A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Alp7A, GLYCEROL, ...
Authors:Petek, N.A, Kraemer, J.A, Mullins, R.D, Agard, D.A, DiMaio, F, Baker, D.
Deposit date:2015-10-20
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of Alp7A reveal both conserved and unique features of plasmid segregation.
To Be Published
3KWZ
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BU of 3kwz by Molmil
Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
7A92
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BU of 7a92 by Molmil
Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Unmasked Refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
Deposit date:2020-09-01
Release date:2020-09-30
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
7AAP
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BU of 7aap by Molmil
Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP
Descriptor: MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ...
Authors:Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J.
Deposit date:2020-09-04
Release date:2020-09-23
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
3KXN
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BU of 3kxn by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
Descriptor: 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KPC
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BU of 3kpc by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
Authors:Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
Deposit date:2009-11-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
3KPU
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BU of 3kpu by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol
Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-4-ol
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
6ZQB
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BU of 6zqb by Molmil
Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state B2
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R.
Deposit date:2020-07-09
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
6ZTS
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BU of 6zts by Molmil
Assembly intermediates of orthoreovirus captured in the cell
Descriptor: Lambda-1
Authors:Sutton, G.C, Stuart, D.I.
Deposit date:2020-07-20
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY
Cite:Assembly intermediates of orthoreovirus captured in the cell.
Nat Commun, 11, 2020
3KR0
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BU of 3kr0 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-6-ol
Descriptor: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
6ZTV
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BU of 6ztv by Molmil
Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)
Descriptor: 1,2-ETHANEDIOL, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, ...
Authors:Grzechowiak, M, Sekula, B, Ruszkowski, M.
Deposit date:2020-07-20
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
7LHD
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BU of 7lhd by Molmil
The complete model of phage Qbeta virion
Descriptor: Capsid protein, Genomic RNA, Maturation protein A2
Authors:Chang, J.Y, Zhang, J.
Deposit date:2021-01-22
Release date:2022-01-26
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles.
Viruses, 14, 2022

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数据于2024-10-09公开中

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