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1E3M
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BU of 1e3m by Molmil
The crystal structure of E. coli MutS binding to DNA with a G:T mismatch
Descriptor: 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP*AP* GP*TP*GP*TP*CP*AP*GP*CP*GP*TP*CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP*GP*AP*CP*AP*CP* TP*GP*GP*TP*GP*CP*TP*TP*GP*GP*CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lamers, M.H, Perrakis, A, Enzlin, J.H, Winterwerp, H.H.K, De Wind, N, Sixma, T.K.
Deposit date:2000-06-19
Release date:2000-11-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structure of DNA Mismatch Repair Protein Muts Binding to a G X T Mismatch
Nature, 407, 2000
6F2S
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BU of 6f2s by Molmil
CryoEM structure of Ageratum Yellow Vein virus (AYVV)
Descriptor: Capsid protein, coat protein subunit H, coat protein subunit I, ...
Authors:Hesketh, E.L, Saunders, K, Fisher, C, Potze, J, Stanley, J, Lomonossoff, G.P, Ranson, N.A.
Deposit date:2017-11-27
Release date:2018-06-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The 3.3 angstrom structure of a plant geminivirus using cryo-EM.
Nat Commun, 9, 2018
5KTJ
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BU of 5ktj by Molmil
Crystal structure of Pistol, a class of self-cleaving ribozyme
Descriptor: COBALT HEXAMMINE(III), MAGNESIUM ION, Pistol (50-MER), ...
Authors:Nguyen, L.A, Wang, J, Steitz, T.A.
Deposit date:2016-07-11
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structure of Pistol, a class of self-cleaving ribozyme.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7T3F
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BU of 7t3f by Molmil
Development of BRD4 inhibitors as arsenicals antidotes
Descriptor: 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL
Authors:Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J.
Deposit date:2021-12-07
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
7T5Z
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BU of 7t5z by Molmil
P. aeruginosa LpxA in complex with ligand L8
Descriptor: (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
7T5X
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BU of 7t5x by Molmil
P. aeruginosa LpxA in complex with ligand L6
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
6ESL
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BU of 6esl by Molmil
Crystal structure of the Legionella pneumoppila LapA
Descriptor: Bacterial leucyl aminopeptidase, ZINC ION
Authors:Richardson, K, Garnett, J.A.
Deposit date:2017-10-22
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Type II Secretion-Dependent Aminopeptidase LapA and Acyltransferase PlaC Are Redundant for Nutrient Acquisition duringLegionella pneumophilaIntracellular Infection of Amoebas.
MBio, 9, 2018
7SW5
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BU of 7sw5 by Molmil
MicroED structure of proteinase K from a 460 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.95 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
6J4C
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BU of 6j4c by Molmil
Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under 10 mM ZnSO4
Descriptor: ACETIC ACID, Cupin superfamily protein, GLYCEROL, ...
Authors:Hou, Y, Liu, B, Hu, K, Zhang, R.
Deposit date:2019-01-08
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural basis of the mechanism of beta-methyl epimerization by enzyme MarH.
Org.Biomol.Chem., 17, 2019
5KUM
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BU of 5kum by Molmil
Crystal Structure of Inward Rectifier Kir2.2 K62W Mutant In Complex with PIP2
Descriptor: ATP-sensitive inward rectifier potassium channel 12, DECYL-BETA-D-MALTOPYRANOSIDE, POTASSIUM ION, ...
Authors:Lee, S.-J, Ren, F, Heyman, S, Yuan, P, Nichols, C.G.
Deposit date:2016-07-13
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids.
J.Gen.Physiol., 148, 2016
1DY9
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BU of 1dy9 by Molmil
Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor I)
Descriptor: N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ...
Authors:Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M.
Deposit date:2000-01-31
Release date:2001-01-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
5KUZ
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BU of 5kuz by Molmil
Human cyclophilin A at 278K, Data set 1
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-13
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
7SW6
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BU of 7sw6 by Molmil
MicroED structure of proteinase K from a 260 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.95 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SVZ
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BU of 7svz by Molmil
MicroED structure of proteinase K from a 200 nm thick lamella measured at 120 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SWC
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BU of 7swc by Molmil
MicroED structure of proteinase K from a 550 nm thick lamella measured at 300 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.9 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW0
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BU of 7sw0 by Molmil
MicroED structure of proteinase K from a 325 nm thick lamella measured at 120 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.7 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
6EXE
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BU of 6exe by Molmil
Crystal structure of DotM cytoplasmic domain (residues 153-380),R217E
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, IcmP (DotM)
Authors:Meir, A, Waksman, G.
Deposit date:2017-11-08
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Legionella DotM structure reveals a role in effector recruiting to the Type 4B secretion system.
Nat Commun, 9, 2018
7SW1
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BU of 7sw1 by Molmil
MicroED structure of proteinase K from a 115 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (1.85 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SW3
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BU of 7sw3 by Molmil
MicroED structure of proteinase K from a 95 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.35 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
5KXB
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BU of 5kxb by Molmil
Wisteria floribunda lectin in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Evans, S.V, Haji-Ghassemi, O.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin.
J.Biol.Chem., 291, 2016
7SW7
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BU of 7sw7 by Molmil
MicroED structure of proteinase K from a 530 nm thick lamella measured at 200 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.3 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SWA
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BU of 7swa by Molmil
MicroED structure of proteinase K from a 320 nm thick lamella measured at 300 kV
Descriptor: Proteinase K
Authors:Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T.
Deposit date:2021-11-19
Release date:2022-09-07
Last modified:2023-10-18
Method:ELECTRON CRYSTALLOGRAPHY (2.1 Å)
Cite:Benchmarking the ideal sample thickness in cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
8SFG
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BU of 8sfg by Molmil
Crystal Structure of the Open Unbound Catalytically Inactive Makes Caterpillars Floppy-like (MCF) Effector from Vibrio vulnificus CMCP6
Descriptor: Autotransporter adhesin, CHLORIDE ION, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Herrera, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-04-11
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Open Unbound Catalytically Inactive Makes Caterpillars Floppy-like (MCF) Effector from Vibrio vulnificus CMCP6.
To Be Published
8SD4
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BU of 8sd4 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
Descriptor: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Kadam, R.U, Zhu, X, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
7T60
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BU of 7t60 by Molmil
P. aeruginosa LpxA in complex with ligand L13
Descriptor: (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-12-13
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022

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