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7F0N
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BU of 7f0n by Molmil
Structure of deamidated Ubiquitin
Descriptor: MAGNESIUM ION, POTASSIUM ION, SODIUM ION, ...
Authors:Chauhan, K, Varshney, N, Das, R.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of deamidated Ubiquitin
To Be Published
7ZGX
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BU of 7zgx by Molmil
S-layer Deinoxanthin Binding Complex, C1 symmetry
Descriptor: S-layer protein SlpA
Authors:Farci, D, Piano, D.
Deposit date:2022-04-04
Release date:2022-07-13
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
7ZGY
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BU of 7zgy by Molmil
S-layer Deinoxanthin Binding Complex, C3 symmetry
Descriptor: (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ...
Authors:Farci, D, Piano, D.
Deposit date:2022-04-04
Release date:2022-07-13
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
8GCA
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BU of 8gca by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-03-01
Release date:2023-03-15
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
7AW9
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BU of 7aw9 by Molmil
CCAAT-binding complex and HapX bound to Aspergillus fumigatus cccA DNA
Descriptor: BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2020-11-06
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX.
Structure, 30, 2022
7AW7
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BU of 7aw7 by Molmil
CCAAT-binding complex and HapX bound to Aspergillus nidulans cccA DNA
Descriptor: BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2020-11-06
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX.
Structure, 30, 2022
6N9A
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BU of 6n9a by Molmil
Crystal Structure of Thermotoga maritima threonylcarbamoyladenosine biosynthesis complex TsaB2D2E2 bound to ATP and carboxy-AMP
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Swairjo, M.A, Stec, B.
Deposit date:2018-12-01
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational communication mediates the reset step in t6A biosynthesis.
Nucleic Acids Res., 47, 2019
7UVQ
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BU of 7uvq by Molmil
Pfs230 domain 1 bound by RUPA-97 and 15C5 Fabs
Descriptor: Fab Heavy Chain, Fab Kappa Light Chain, Gametocyte surface protein P230
Authors:Ivanochko, D, Julien, J.P.
Deposit date:2022-05-02
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
7UVO
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BU of 7uvo by Molmil
Pfs230 domain 1 bound by RUPA-38 Fab
Descriptor: CHLORIDE ION, Gametocyte surface protein P230, ISOPROPYL ALCOHOL, ...
Authors:Ivanochko, D, Newton, J, Julien, J.P.
Deposit date:2022-05-02
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
7UVH
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BU of 7uvh by Molmil
Pfs230 domain 1 bound by RUPA-32 Fab
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMMONIUM ION, ...
Authors:Ivanochko, D, Newton, J, Julien, J.P.
Deposit date:2022-05-02
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
7UVI
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BU of 7uvi by Molmil
Pfs230 domain 1 bound by RUPA-55 Fab
Descriptor: Gametocyte surface protein P230, RUPA-55 Fab heavy chain, RUPA-55 Fab light chain
Authors:Ivanochko, D, Newton, J, Julien, J.P.
Deposit date:2022-05-02
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
7UVS
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BU of 7uvs by Molmil
Pfs230 domain 1 bound by LMIV230-02 Fab
Descriptor: Gametocyte surface protein P230, LMIV230-02 Fab heavy chain, LMIV230-02 Fab light chain, ...
Authors:Ivanochko, D, Julien, J.P.
Deposit date:2022-05-02
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
6N1G
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BU of 6n1g by Molmil
Crystal structure of Aquaglyceroporin AQP7
Descriptor: Aquaporin-7, GLYCEROL
Authors:Vahedi-Faridi, A, Lodowski, D, Kowatz, T.
Deposit date:2018-11-08
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.995 Å)
Cite:Aquaporin-7: A Dynamic Aquaglyceroporin With Greater Water and Glycerol Permeability Than Its Bacterial Homolog GlpF.
Front Physiol, 11, 2020
3A7N
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BU of 3a7n by Molmil
Crystal structure of uracil-DNA glycosylase from Mycobacterium tuberculosis
Descriptor: CITRATE ANION, Uracil-DNA glycosylase
Authors:Kaushal, P.S, Talawar, R.K, Varshney, U, Vijayan, M.
Deposit date:2009-09-29
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands
Acta Crystallogr.,Sect.F, 66, 2010
2ZHX
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BU of 2zhx by Molmil
Crystal structure of Uracil-DNA Glycosylase from Mycobacterium tuberculosis in complex with a proteinaceous inhibitor
Descriptor: Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor
Authors:Kaushal, P.S, Talawar, R.K, Krishna, P.D.V, Varshney, U, Vijayan, M.
Deposit date:2008-02-11
Release date:2008-05-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Unique features of the structure and interactions of mycobacterial uracil-DNA glycosylase: structure of a complex of the Mycobacterium tuberculosis enzyme in comparison with those from other sources
Acta Crystallogr.,Sect.D, 64, 2008
8AV8
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BU of 8av8 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075300)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
6O3R
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BU of 6o3r by Molmil
Crystal Structure of NDM-1 D199N with Compound 7
Descriptor: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6NY7
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BU of 6ny7 by Molmil
Crystal Structure of NDM-1 D199N with Compound 16
Descriptor: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-02-11
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
Descriptor: Enolase, MAGNESIUM ION, Putative gene 60 protein
Authors:Li, S, Zhang, K.
Deposit date:2022-04-26
Release date:2022-07-27
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
7E1L
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BU of 7e1l by Molmil
Crystal structure of apo form PhlH
Descriptor: DUF1956 domain-containing protein
Authors:Zhang, N, Wu, J, He, Y.X, Ge, H.
Deposit date:2021-02-01
Release date:2022-02-02
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules.
J.Biol.Chem., 298, 2022
7E1N
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BU of 7e1n by Molmil
Crystal structure of PhlH in complex with 2,4-diacetylphloroglucinol
Descriptor: 2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol, DUF1956 domain-containing protein
Authors:Zhang, N, Wu, J, He, Y.X, Ge, H.
Deposit date:2021-02-02
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis for coordinating secondary metabolite production by bacterial and plant signaling molecules.
J.Biol.Chem., 298, 2022
5JLJ
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BU of 5jlj by Molmil
Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1
Descriptor: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ...
Authors:Fung, H.Y, Chook, Y.M.
Deposit date:2016-04-27
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016
4HVA
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BU of 4hva by Molmil
Mechanistic and Structural Understanding of Uncompetitive Inhibitors of Caspase-6
Descriptor: Caspase-6, N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide, VEID Inhibitor
Authors:Murray, J.M, Steffek, M.
Deposit date:2012-11-05
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:Mechanistic and structural understanding of uncompetitive inhibitors of caspase-6.
Plos One, 7, 2012
6C0L
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BU of 6c0l by Molmil
Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-01-01
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
3FWH
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BU of 3fwh by Molmil
Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Gavira, J.A, Stsiapanava, A, Kuty, M, Dohnalek, J, Lapkouski, M, Kuta Smatanova, I.
Deposit date:2009-01-18
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010

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