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PDB: 53012 results

7S82
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BU of 7s82 by Molmil
Cryo-EM structure of SARS-CoV-2 Main protease C145S in complex with N-terminal peptide
Descriptor: 3C-like proteinase
Authors:Noske, G.D, Song, Y, Fernandes, R.S, Oliva, G, Godoy, A.S.
Deposit date:2021-09-17
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of SARS-CoV-2 Main protease C145S in complex with N-terminal peptide
To Be Published
5I5W
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BU of 5i5w by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARYL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
5I6C
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BU of 5i6c by Molmil
The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine
Descriptor: DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE
Authors:Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B.
Deposit date:2016-02-16
Release date:2016-04-27
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity.
Nat Commun, 7, 2016
7SHQ
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BU of 7shq by Molmil
Structure of a functional construct of eukaryotic elongation factor 2 kinase in complex with calmodulin.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase,Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Jeruzalmi, D, Dalby, K.N, Ghose, R.
Deposit date:2021-10-11
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for the calmodulin-mediated activation of eukaryotic elongation factor 2 kinase.
Sci Adv, 8, 2022
6OSI
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BU of 6osi by Molmil
Unmodified tRNA(Pro) bound to Thermus thermophilus 70S (near cognate)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Hoffer, E.D, Subaramanian, S, Hong, S, Maehigashi, T, Dunham, C.M.
Deposit date:2019-05-01
Release date:2020-10-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (4.14 Å)
Cite:Structural insights into mRNA reading frame regulation by tRNA modification and slippery codon-anticodon pairing.
Elife, 9, 2020
6E78
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BU of 6e78 by Molmil
Structure of Human Transthyretin Asp38Ala Mutant in Complex with Diflunisal
Descriptor: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, Transthyretin
Authors:Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural Variants of Transthyretin
To Be Published
5BTR
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BU of 5btr by Molmil
Crystal structure of SIRT1 in complex with resveratrol and an AMC-containing peptide
Descriptor: AMC-containing peptide, NAD-dependent protein deacetylase sirtuin-1, RESVERATROL, ...
Authors:Cao, D, Wang, M, Qiu, X, Liu, D, Jiang, H, Yang, N, Xu, R.M.
Deposit date:2015-06-03
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for allosteric, substrate-dependent stimulation of SIRT1 activity by resveratrol
Genes Dev., 29, 2015
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
Descriptor: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
6R1B
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BU of 6r1b by Molmil
Crystal structure of UgpB from Mycobacterium tuberculosis in complex with glycerophosphocholine
Descriptor: 2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM, GLYCEROL, MAGNESIUM ION, ...
Authors:Fenn, J, Nepravishta, R, Guy, C.S, Harrison, J, Angulo, J, Cameron, A.D, Fullam, E.
Deposit date:2019-03-14
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27000213 Å)
Cite:Structural Basis of Glycerophosphodiester Recognition by theMycobacterium tuberculosisSubstrate-Binding Protein UgpB.
Acs Chem.Biol., 14, 2019
6EB4
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BU of 6eb4 by Molmil
OhrB (Organic Hydroperoxide Resistance protein) from Chromobacterium violaceum
Descriptor: DI(HYDROXYETHYL)ETHER, Organic hydroperoxide resistance protein
Authors:Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S.
Deposit date:2018-08-04
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020
5ICR
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BU of 5icr by Molmil
2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Acyl-CoA synthase, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Hung, D, Fisher, S.L, Edelstein, J, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-23
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.
To Be Published
6EG5
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BU of 6eg5 by Molmil
The structure of SB-1-202-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:Banerjee, A.K, Wang, Y, Chen, H, Miller, D, Li, W.
Deposit date:2018-08-18
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The structure of SB-1-202/SB-2-204-tubulin complex
To Be Published
6XG6
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BU of 6xg6 by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) with ADP-BeF3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Heat shock protein 75 kDa, ...
Authors:Liu, Y.X, Wang, F, Agard, D.A.
Deposit date:2020-06-17
Release date:2020-09-30
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:General and robust covalently linked graphene oxide affinity grids for high-resolution cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
4XCD
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BU of 4xcd by Molmil
Crystal structure of an octadecameric TF55 complex from S. solfataricus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit beta
Authors:Chaston, J.J, Stewart, A.G, Smits, C, Stock, D.
Deposit date:2014-12-17
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins.
Structure, 24, 2016
5AZ6
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BU of 5az6 by Molmil
Crystal structure of MBP-Tom20 fusion protein with a 2-residue spacer in the connector helix
Descriptor: Maltose-binding periplasmic protein,Mitochondrial import receptor subunit TOM20 homolog, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Matsuoka, R, Kohda, D.
Deposit date:2015-09-27
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Rational design of crystal contact-free space in protein crystals for analyzing spatial distribution of motions within protein molecules.
Protein Sci., 25, 2016
5IGP
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BU of 5igp by Molmil
Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin
Descriptor: ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
8K3R
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BU of 8k3r by Molmil
S. cerevisiae Chs1 in apo state incubated with GlcNAc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1
Authors:Bai, L, Chen, D.
Deposit date:2023-07-16
Release date:2023-08-16
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
5IGZ
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BU of 5igz by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and spiramycin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Macrolide 2'-phosphotransferase II, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5LCY
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BU of 5lcy by Molmil
Formaldehyde-Responsive Regulator FrmR E64H variant from Salmonella enterica serovar Typhimurium
Descriptor: Frmr
Authors:Pohl, E, Robinson, N, Osman, D, Piergentili, C, Uson, I.
Deposit date:2016-06-22
Release date:2016-08-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Effectors and Sensory Sites of Formaldehyde-responsive Regulator FrmR and Metal-sensing Variant.
J.Biol.Chem., 291, 2016
4XIW
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BU of 4xiw by Molmil
Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, alpha type, ...
Authors:Hainzl, T, Grundstrom, C, Benlloch, R, Shevela, D, Shutova, T, Messinger, J, Samuelsson, G, Sauer-Eriksson, A.E.
Deposit date:2015-01-07
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and Functional Characterization of Photosystem II-Associated Carbonic Anhydrase CAH3 in Chlamydomonas reinhardtii.
Plant Physiol., 167, 2015
7SCI
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BU of 7sci by Molmil
AM0627 metallopeptidase from Akkermansia muciniphila
Descriptor: CHLORIDE ION, FORMIC ACID, Peptidase M60 domain-containing protein, ...
Authors:Fernandez, D, Bertozzi, C.R, Shon, D.J.
Deposit date:2021-09-28
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided mutagenesis of a mucin-selective metalloprotease from Akkermansia muciniphila alters substrate preferences.
J.Biol.Chem., 298, 2022
8G4L
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BU of 8g4l by Molmil
Cryo-EM structure of the human cardiac myosin filament
Descriptor: Myosin light chain 3, Myosin regulatory light chain 2, ventricular/cardiac muscle isoform, ...
Authors:Dutta, D, Nguyen, V, Padron, R, Craig, R.
Deposit date:2023-02-10
Release date:2023-11-01
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Cryo-EM structure of the human cardiac myosin filament.
Nature, 623, 2023
5I9U
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BU of 5i9u by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
5IA2
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BU of 5ia2 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66
Descriptor: 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
6UCN
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BU of 6ucn by Molmil
Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K
Descriptor: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
Authors:Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
Deposit date:2019-09-16
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020

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