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PDB: 34447 results

7S6Y
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BU of 7s6y by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S75
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BU of 7s75 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42
Descriptor: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S74
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BU of 7s74 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38
Descriptor: 3C-like proteinase, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Z
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BU of 7s6z by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S73
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BU of 7s73 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
6YSS
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BU of 6yss by Molmil
Structure of the P+9 ArfB-ribosome complex in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
6YST
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BU of 6yst by Molmil
Structure of the P+9 ArfB-ribosome complex with P/E hybrid tRNA in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
6YSU
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BU of 6ysu by Molmil
Structure of the P+0 ArfB-ribosome complex in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
6YSR
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BU of 6ysr by Molmil
Structure of the P+9 stalled ribosome complex
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
6LHO
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BU of 6lho by Molmil
The cryo-EM structure of coxsackievirus A16 empty particle in complex with Fab 18A7
Descriptor: VP1 protein, VP2 protein, VP3 protein
Authors:He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W.
Deposit date:2019-12-09
Release date:2020-02-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16.
Cell Host Microbe, 27, 2020
4G9B
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BU of 4g9b by Molmil
Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
Descriptor: Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-07-23
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid
To be Published
4GE1
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BU of 4ge1 by Molmil
Structure of the tryptamine complex of the amine binding protein of Rhodnius prolixus
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Biogenic amine-binding protein, GLYCEROL
Authors:Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M.
Deposit date:2012-08-01
Release date:2013-01-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
6L08
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BU of 6l08 by Molmil
Crystal structure of Arabidopsis cytidine deaminase
Descriptor: Cytidine deaminase 1, SULFATE ION
Authors:Jia, W, Xiao, W, Lin, L.
Deposit date:2019-09-26
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Crystal structure of Arabidopsis thaliana cytidine deaminase.
Biochem.Biophys.Res.Commun., 529, 2020
3CZF
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BU of 3czf by Molmil
Crystal structure of HLA-B*2709 complexed with the glucagon receptor (GR) peptide (residues 412-420)
Descriptor: BETA-2-MICROGLOBULIN, GLUCAGON RECEPTOR PEPTIDE, GLYCEROL, ...
Authors:Loll, B, Fiorillo, M.T, Rueckert, C, Saenger, W, Sorrentino, R, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2008-04-29
Release date:2009-04-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational Plasticity of HLA-B27 Molecules Correlates Inversely With Efficiency of Negative T Cell Selection.
Front Immunol, 11, 2020
4G39
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BU of 4g39 by Molmil
Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer
Descriptor: IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Smith, K.W, Stroupe, M.E.
Deposit date:2012-07-13
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer.
Biochemistry, 51, 2012
4FYE
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BU of 4fye by Molmil
Crystal structure of a Legionella phosphoinositide phosphatase, SidF
Descriptor: PHOSPHATE ION, SidF, inhibitor of growth family, ...
Authors:Hsu, F.S, Zhu, W, Brennan, L, Tao, L, Luo, Z.Q, Mao, Y.
Deposit date:2012-07-04
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural basis for substrate recognition by a unique Legionella phosphoinositide phosphatase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GDB
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BU of 4gdb by Molmil
SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor
Descriptor: (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ...
Authors:Ke, W, van den Akker, F.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
4G1T
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BU of 4g1t by Molmil
Crystal structure of interferon-stimulated gene 54
Descriptor: Interferon-induced protein with tetratricopeptide repeats 2
Authors:Yang, Z, Liang, H, Zhou, Q, Li, Y, Chen, H, Ye, W, Chen, D, Fleming, J, Shu, H, Liu, Y.
Deposit date:2012-07-11
Release date:2012-08-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of ISG54 reveals a novel RNA binding structure and potential functional mechanisms.
Cell Res., 22, 2012
4GET
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BU of 4get by Molmil
Crystal structure of biogenic amine binding protein from Rhodnius prolixus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Biogenic amine-binding protein
Authors:Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M.
Deposit date:2012-08-02
Release date:2013-01-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
3CL4
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BU of 3cl4 by Molmil
Crystal structure of bovine coronavirus hemagglutinin-esterase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ...
Authors:Zeng, Q.H, Langereis, M.A, van Vliet, A.L.W, Huizinga, E.G, de Groot, R.J.
Deposit date:2008-03-18
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of coronavirus hemagglutinin-esterase offers insight into corona and influenza virus evolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6LIX
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BU of 6lix by Molmil
CRL Protein of Arabidopsis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic
Authors:Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M.
Deposit date:2019-12-13
Release date:2020-09-16
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function.
Plant J., 104, 2020
4G4X
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BU of 4g4x by Molmil
Crystal structure of peptidoglycan-associated lipoprotein from Acinetobacter baumannii
Descriptor: D-ALANINE, GLYCEROL, Peptidoglycan-associated lipoprotein, ...
Authors:Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y.
Deposit date:2012-07-16
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA
To be Published
4GME
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BU of 4gme by Molmil
Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate
Descriptor: CARBONATE ION, CHLORIDE ION, D-MANNONIC ACID, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-08-15
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Mannonate Dehydratase from Caulobacter Crescentus Cb15
To be Published
6LD9
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BU of 6ld9 by Molmil
Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with cystathionine
Descriptor: (2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid, Cystathionine gamma-synthase
Authors:Ngo, H.P.T, Nguyen, T.D.Q, Kang, L.W.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with cystathionine
To Be Published
4GBR
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BU of 4gbr by Molmil
N-Terminal T4 Lysozyme Fusion Facilitates Crystallization of a G Protein Coupled Receptor
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, Beta-2 adrenergic receptor, Lysozyme
Authors:Zou, Y, Weis, W.I, Kobilka, B.K.
Deposit date:2012-07-27
Release date:2012-10-24
Method:X-RAY DIFFRACTION (3.993 Å)
Cite:N-terminal t4 lysozyme fusion facilitates crystallization of a g protein coupled receptor.
Plos One, 7, 2012

222624

數據於2024-07-17公開中

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