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PDB: 356 results

5E0H
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1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (18-mer) inhibitor
Descriptor: (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, GLYCEROL, Norovirus 3C-like protease
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C.
Deposit date:2015-09-28
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
5E0J
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1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor
Descriptor: (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C.
Deposit date:2015-09-28
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
3L28
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Crystal structure of Zaire Ebola VP35 interferon inhibitory domain K339A mutant
Descriptor: CHLORIDE ION, Polymerase cofactor VP35, SODIUM ION, ...
Authors:Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
3L26
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Crystal structure of Zaire Ebola VP35 interferon inhibitory domain bound to 8 bp dsRNA
Descriptor: CHLORIDE ION, MAGNESIUM ION, Polymerase cofactor VP35, ...
Authors:Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
6DL1
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BU of 6dl1 by Molmil
Racemic structure of jatrophidin, an orbitide from Jatropha curcas
Descriptor: jatrophidin
Authors:Wang, C.K, King, G.J, Ramalho, S.D.
Deposit date:2018-05-31
Release date:2018-11-14
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.029 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
6DL0
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Crystal structure of pohlianin C, an orbitide from Jatropha pohliana
Descriptor: pohlianin C
Authors:Wang, C.K, King, G.J, Ramalho, S.D.
Deposit date:2018-05-31
Release date:2018-11-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
7UXE
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BU of 7uxe by Molmil
Pseudomonas phage E217 small terminase (TerS)
Descriptor: Small terminase
Authors:Lokareddy, R.K, Hou, C.-F.D, Doll, S.G, Li, F, Gillilan, R, Forti, F, Briani, F, Cingolani, G.
Deposit date:2022-05-05
Release date:2022-09-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Terminase Subunits from the Pseudomonas-Phage E217.
J.Mol.Biol., 434, 2022
8G83
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BU of 8g83 by Molmil
Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain
Descriptor: NAD(+) hydrolase AbTIR
Authors:Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A.
Deposit date:2023-02-17
Release date:2023-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
8G5V
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BU of 8g5v by Molmil
Empty capsid of Hepatitis B virus
Descriptor: Core protein Cp183
Authors:Yang, R, Cingolani, G.
Deposit date:2023-02-14
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of empty Hepatitis B virus capsid
To Be Published
8G6V
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Hepatitis B virus capsid bound to importin alpha1/beta heterodimer
Descriptor: Core protein Cp183
Authors:Yang, R, Cingolani, G.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of Hepatitis B virus capsid bound to importin alpha1/beta heterodimer
To Be Published
6DKZ
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BU of 6dkz by Molmil
Racemic structure of ribifolin, an orbitide from Jatropha ribifolia
Descriptor: ribifolin
Authors:Wang, C.K, King, G.J, Ramalho, S.D.
Deposit date:2018-05-31
Release date:2018-11-14
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
8G8Y
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BU of 8g8y by Molmil
Hepatitis B virus capsid bound to importin alpha1
Descriptor: Core protein Cp183
Authors:Yang, R, Cingolani, G.
Deposit date:2023-02-20
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of Hepatitis B virus capsid bound to importin alpha1
To Be Published
6DKY
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BU of 6dky by Molmil
Crystal structure of ribifolin, an orbitide from Jatropha ribifolia
Descriptor: ILE-LEU-GLY-SER-ILE-ILE-LEU-GLY
Authors:Wang, C.K, Ramalho, S.D, King, G.J, Craik, D.J.
Deposit date:2018-05-31
Release date:2018-11-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
6U22
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BU of 6u22 by Molmil
Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin
Descriptor: 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ...
Authors:White, A.M, King, G.J, Durek, T, Craik, D.J.
Deposit date:2019-08-19
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
5WLX
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BU of 5wlx by Molmil
Solution structure of kappa-theraphotoxin-Aa1a
Descriptor: Kappa-theraphotoxin-Aa1a
Authors:Chin, Y.K.Y, Ma, L, King, G.F.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel venom-derived inhibitors of the human EAG channel, a putative antiepileptic drug target.
Biochem. Pharmacol., 158, 2018
3LJ5
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BU of 3lj5 by Molmil
Full Length Bacteriophage P22 Portal Protein
Descriptor: Portal protein
Authors:Olia, A.S, Cingolani, G.
Deposit date:2010-01-25
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (7.497 Å)
Cite:Three-dimensional structure of a viral genome-delivery portal vertex.
Nat.Struct.Mol.Biol., 18, 2011
7RFD
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BU of 7rfd by Molmil
E. coli peptidyl-prolyl cis-trans isomerase, mutant Phe4Ala Phe27CF3-Phe/Phe98CF3-Phe
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Frkic, R.L, Otting, G, Jackson, C.J.
Deposit date:2021-07-14
Release date:2021-09-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Through-Space Scalar 19 F- 19 F Couplings between Fluorinated Noncanonical Amino Acids for the Detection of Specific Contacts in Proteins.
J.Am.Chem.Soc., 143, 2021
6E3D
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BU of 6e3d by Molmil
Atomic structure of Mycobacterium tuberculosis DppA
Descriptor: Periplasmic dipeptide-binding lipoprotein DPPA, tetra-peptide picked up from the expression host
Authors:Ko, Y, Mitra, A, Niederweis, M, Cingolani, G.
Deposit date:2018-07-13
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:Heme and hemoglobin utilization by Mycobacterium tuberculosis.
Nat Commun, 10, 2019
8FUV
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BU of 8fuv by Molmil
Pseudomonas phage E217 extended sheath and tail tube
Descriptor: Sheath protein gp31, Tail fiber protein gp32
Authors:Li, F, Cingolani, G, Hou, C.
Deposit date:2023-01-18
Release date:2023-07-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217.
Nat Commun, 14, 2023
8FVG
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BU of 8fvg by Molmil
Pseudomonas phage E217 contracted sheath
Descriptor: Sheath protein gp31
Authors:Li, F, Cingolani, G, Hou, C.
Deposit date:2023-01-18
Release date:2023-07-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217.
Nat Commun, 14, 2023
8FRS
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BU of 8frs by Molmil
Pseudomonas phage E217 5-fold vertex (capsid and decorating proteins)
Descriptor: Major structural protein, Structural protein gp24
Authors:Li, F, Cingolani, G, Hou, C.
Deposit date:2023-01-08
Release date:2023-07-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217.
Nat Commun, 14, 2023
8FVH
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BU of 8fvh by Molmil
Pseudomonas phage E217 neck (portal, head-to-tail connector, collar and gateway proteins)
Descriptor: E217 collar protein gp28, E217 gateway protein gp29, E217 head-to-tail connector protein gp27, ...
Authors:Li, F, Cingolani, G, Hou, C.
Deposit date:2023-01-18
Release date:2023-07-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217.
Nat Commun, 14, 2023
4LIN
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BU of 4lin by Molmil
Exploring the atomic structure and conformational flexibility of a 320 angstrom long engineered viral fiber using X-ray crystallography
Descriptor: CALCIUM ION, CHLORIDE ION, Tail needle protein gp26
Authors:Bhardwaj, A, Cingolani, G.
Deposit date:2013-07-02
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Exploring the atomic structure and conformational flexibility of a 320 angstrom long engineered viral fiber using X-ray crystallography.
Acta Crystallogr.,Sect.D, 70, 2014
8U10
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BU of 8u10 by Molmil
In situ cryo-EM structure of bacteriophage P22 gp1:gp4:gp5:gp10:gp9 N-term complex in conformation 1 at 3.2A resolution
Descriptor: Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ...
Authors:Iglesias, S, Feng-Hou, C, Cingolani, G.
Deposit date:2023-08-30
Release date:2023-11-22
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8U11
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In situ cryo-EM structure of bacteriophage P22 gp1:gp5:gp4: gp10: gp9 N-term complex in conformation 2 at 3.1A resolution
Descriptor: Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ...
Authors:Iglesias, S, Feng-Hou, C, Cingolani, G.
Deposit date:2023-08-30
Release date:2023-11-22
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023

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