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8AKL
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BU of 8akl by Molmil
Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-07-22
Release date:2023-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
9K0A
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BU of 9k0a by Molmil
Structure of Pictet-Spenglerases KslB in complex with product
Descriptor: (1~{S},3~{S})-1-(3-hydroxy-3-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid, Cucumopine synthase C-terminal helical bundle domain-containing protein, GLYCEROL
Authors:Mori, T, Renata, H, Abe, I.
Deposit date:2024-10-15
Release date:2025-06-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of Pictet-Spenglerases KslB in complex with product
To Be Published
6PEW
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BU of 6pew by Molmil
CryoEM Plasmodium falciparum glutamine synthetase
Descriptor: Glutamine synthetase
Authors:Ho, C.M, Lai, M, Zhou, Z.H.
Deposit date:2019-06-21
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bottom-up structural proteomics: cryoEM of protein complexes enriched from the cellular milieu.
Nat.Methods, 17, 2020
9MRF
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BU of 9mrf by Molmil
De novo designed apolar residue motif transmembrane helix
Descriptor: ApolarResidue_denovo_design_46727_KFYK, DI(HYDROXYETHYL)ETHER
Authors:Mravic, M, Zhang, M, Anderson, C.T.
Deposit date:2025-01-07
Release date:2025-01-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:De novo designed apolar residue motif transmembrane helix
To Be Published
9MDK
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BU of 9mdk by Molmil
Crystal Structure of E64-inhibited C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MDM
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BU of 9mdm by Molmil
Crystal Structure of C412S Mutant of C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, PHOSPHATE ION, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MDO
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BU of 9mdo by Molmil
Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] resi 205-647)
Descriptor: 1,2-ETHANEDIOL, Bacterial Ig-like domain protein C0362, CHLORIDE ION
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2024-12-05
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural insights into the role of the prosegment binding loop in a papain-superfamily cysteine protease from Treponema denticola.
Acta Crystallogr.,Sect.F, 81, 2025
9MUP
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BU of 9mup by Molmil
4OT-SnoaL from P. atlanticus - 3-bromopropiolate treated
Descriptor: Tautomerase
Authors:Melkonian, T.R, Vuksanovic, N, Allen, K.N, Whitman, C.P.
Deposit date:2025-01-14
Release date:2025-04-09
Last modified:2025-05-14
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Beyond the beta-alpha-beta Fold: Characterization of a SnoaL Domain in the Tautomerase Superfamily.
Biochemistry, 64, 2025
9MUA
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BU of 9mua by Molmil
4OT-SnoaL from P. atlanticus - Apo form
Descriptor: Tautomerase
Authors:Melkonian, T.R, Vuksanovic, N, Allen, K.N, Whitman, C.P.
Deposit date:2025-01-13
Release date:2025-04-09
Last modified:2025-05-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Beyond the beta-alpha-beta Fold: Characterization of a SnoaL Domain in the Tautomerase Superfamily.
Biochemistry, 64, 2025
6PEV
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BU of 6pev by Molmil
CryoEM Plasmodium falciparum M18 aspartyl aminopeptidase
Descriptor: M18 aspartyl aminopeptidase, ZINC ION
Authors:Ho, C, Lai, M, Zhou, Z.H.
Deposit date:2019-06-21
Release date:2019-12-11
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bottom-up structural proteomics: cryoEM of protein complexes enriched from the cellular milieu.
Nat.Methods, 17, 2020
4PPR
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BU of 4ppr by Molmil
Crystal structure of Mycobacterium tuberculosis D,D-peptidase Rv3330 in complex with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein DacB1
Authors:Prigozhin, D.M, Huizar, J.P, Mavrici, D, Alber, T, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-02-27
Release date:2014-11-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Subfamily-specific adaptations in the structures of two penicillin-binding proteins from Mycobacterium tuberculosis.
Plos One, 9, 2014
4TVX
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BU of 4tvx by Molmil
Crystal structure of the E. coli CRISPR RNA-guided surveillance complex, Cascade
Descriptor: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
Authors:Jackson, R.N, Golden, S.M, Carter, J, Wiedenheft, B.
Deposit date:2014-06-28
Release date:2014-08-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural biology. Crystal structure of the CRISPR RNA-guided surveillance complex from Escherichia coli.
Science, 345, 2014
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
Descriptor: Beta-amylase
Authors:Hofer, G, Keller, W.
Deposit date:2018-04-27
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.00004673 Å)
Cite:Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
8XWX
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BU of 8xwx by Molmil
Crystal structure of FIS1-BAP31 complex from human
Descriptor: B-cell receptor-associated protein 31, BETA-MERCAPTOETHANOL, Mitochondrial fission 1 protein, ...
Authors:Nguyen, M.D, Bong, S.M, Lee, B.I.
Deposit date:2024-01-17
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A crystal structure containing FIS1 and BAP31 suggests the clue for FIS1-BAP31 interaction
To Be Published
6H6K
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BU of 6h6k by Molmil
The structure of the FKR mutant of the archaeal translation initiation factor 2 gamma subunit in complex with GDPCP, obtained in the absence of magnesium salts in the crystallization solution.
Descriptor: 1,2-ETHANEDIOL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, SODIUM ION, ...
Authors:Nikonov, O, Kravchenko, O, Nevskaya, N, Stolboushkina, E, Gabdulkhakov, A, Garber, M, Nikonov, S.
Deposit date:2018-07-27
Release date:2019-04-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Acta Crystallogr D Struct Biol, 75, 2019
9ARD
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BU of 9ard by Molmil
Structure of Pycsar EcPycC cyclase immunoglobulin-like AGS-C domain
Descriptor: Cytidylate cyclase
Authors:Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2024-02-23
Release date:2024-06-19
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A large-scale type I CBASS antiphage screen identifies the phage prohead protease as a key determinant of immune activation and evasion.
Cell Host Microbe, 32, 2024
9AZB
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BU of 9azb by Molmil
Crystal structure of LolTv5
Descriptor: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Gao, J, Hai, Y.
Deposit date:2024-03-11
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
9AZA
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BU of 9aza by Molmil
Crystal structure of LolTv4
Descriptor: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Gao, J, Hai, Y.
Deposit date:2024-03-10
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024
9ARN
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BU of 9arn by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
Descriptor: SULFATE ION, Transmembrane protein gp41
Authors:McAndrew, R.P, Ralston, C.Y, Gochin, M.
Deposit date:2024-02-23
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
9ARP
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BU of 9arp by Molmil
Structure and interactions of HIV-1 gp41 CHR-NHR reverse hairpin constructs reveal molecular determinants of antiviral activity
Descriptor: Transmembrane protein gp41
Authors:McAndrew, R.P, Ralston, C.Y, Gochin, M.
Deposit date:2024-02-23
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity.
J.Mol.Biol., 436, 2024
4W6A
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BU of 4w6a by Molmil
Crystal Structure of Full-Length Split GFP Mutant Q157C Disulfide Dimer, P 32 2 1 Space Group
Descriptor: fluorescent protein Q157C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W6H
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BU of 4w6h by Molmil
Crystal Structure of Full-Length Split GFP Mutant D190C Disulfide Dimer, P 65 Space Group
Descriptor: fluorescent protein D190C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W6L
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BU of 4w6l by Molmil
Crystal Structure of Full-Length Split GFP Mutant D117C Disulfide Dimer, I 41 2 2 Space Group
Descriptor: fluorescent protein D117C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W6P
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BU of 4w6p by Molmil
Crystal Structure of Full-Length Split GFP Mutant D102C Disulfide Dimer, P 21 21 21 Space Group
Descriptor: fluorescent protein D102C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.085 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015

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