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6LQ6
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BU of 6lq6 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C20CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ5
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BU of 6lq5 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JPD
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BU of 7jpd by Molmil
Crystal structure of the trimeric full length mature hemagglutinin from influenza A virus A/Fort Monmouth/1/1947
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-08-07
Release date:2021-10-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
5L0Q
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BU of 5l0q by Molmil
Crystal structure of the complex between ADAM10 D+C domain and a conformation specific mAb 8C7.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Disintegrin and metalloproteinase domain-containing protein 10, MAGNESIUM ION, ...
Authors:Xu, K, Saha, N, Nikolov, D.B.
Deposit date:2016-07-28
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.759 Å)
Cite:An activated form of ADAM10 is tumor selective and regulates cancer stem-like cells and tumor growth.
J.Exp.Med., 213, 2016
5L9D
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BU of 5l9d by Molmil
AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Rupp, B, Naschberger, A.
Deposit date:2016-06-10
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
2RTI
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BU of 2rti by Molmil
STREPTAVIDIN-GLYCOLURIL COMPLEX, PH 2.50, SPACE GROUP I222
Descriptor: FORMIC ACID, GLYCOLURIL, STREPTAVIDIN
Authors:Katz, B.A.
Deposit date:1997-09-11
Release date:1998-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
6U5A
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BU of 6u5a by Molmil
Crystal structure of Equine Serum Albumin complex with 6-MNA
Descriptor: (6-methoxynaphthalen-2-yl)acetic acid, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-27
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
5KPF
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BU of 5kpf by Molmil
Crystal structure of cytochrome c - Phenyl-trisulfonatocalix[4]arene complex
Descriptor: Cytochrome c iso-1, HEME C, NITRATE ION, ...
Authors:Doolan, A.M, Rennie, M.L, Crowley, P.B.
Deposit date:2016-07-04
Release date:2017-07-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24, 2018
6LQ4
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BU of 6lq4 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C14CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LQ1
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BU of 6lq1 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C8CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-12
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8F35
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BU of 8f35 by Molmil
Apo ELIC in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG
Descriptor: Erwinia chrysanthemi ligand-gated ion channel
Authors:Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
Deposit date:2022-11-09
Release date:2023-11-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
8SDJ
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BU of 8sdj by Molmil
Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM20 Coiled-Coil Domain
Descriptor: Pyrin
Authors:Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
Deposit date:2023-04-06
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM20 Coiled-Coil Domain
To Be Published
8F34
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BU of 8f34 by Molmil
ELIC with Propylamine in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG
Descriptor: 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel
Authors:Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
Deposit date:2022-11-09
Release date:2023-11-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
8F33
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BU of 8f33 by Molmil
ELIC with Propylamine in saposin nanodiscs with 2:1:1 POPC:POPE:POPG
Descriptor: 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel
Authors:Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
Deposit date:2022-11-09
Release date:2023-11-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
6UQJ
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BU of 6uqj by Molmil
Crystal structure of the GH39 enzyme from Xanthomonas axonopodis pv. citri
Descriptor: Beta-xylosidase
Authors:Morais, M.A.B, Polo, C.C, Santos, C.R, Murakami, M.T.
Deposit date:2019-10-20
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Exploring the Molecular Basis for Substrate Affinity and Structural Stability in Bacterial GH39 beta-Xylosidases.
Front Bioeng Biotechnol, 8, 2020
8F32
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BU of 8f32 by Molmil
ELIC with Propylamine in SMA nanodiscs with 2:1:1 POPC:POPE:POPG
Descriptor: 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel
Authors:Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
Deposit date:2022-11-09
Release date:2023-11-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
6M9K
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BU of 6m9k by Molmil
Crystal structure of lambda exonuclease in complex with the Red beta C-terminal domain
Descriptor: Exonuclease, Recombination protein bet, SULFATE ION
Authors:Bell, C.E, Caldwell, B.J.
Deposit date:2018-08-23
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the Red beta C-terminal domain in complex with lambda Exonuclease reveals an unexpected homology with lambda Orf and an interaction with Escherichia coli single stranded DNA binding protein.
Nucleic Acids Res., 47, 2019
8DIC
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BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIF
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BU of 8dif by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
7SMV
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BU of 7smv by Molmil
Crystallization of feline coronavirus Mpro with GC376 reveals mechanism of inhibition
Descriptor: 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2021-10-26
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallization of Feline Coronavirus M pro With GC376 Reveals Mechanism of Inhibition.
Front Chem, 10, 2022
8DIE
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BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8F65
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BU of 8f65 by Molmil
Crystal structure of VACV D13 in complex with BBL030900
Descriptor: 8-methoxyquinolin-4-amine, FORMIC ACID, Scaffold protein D13
Authors:Subedi, B.P, Garriga, D, Coulibaly, F.
Deposit date:2022-11-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of scaffolidng protein D13 of Vaccinia Virus in complex with fragments inhibiting A17 binding.
To Be Published
8CT4
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BU of 8ct4 by Molmil
Cryo-EM structure of Mtb Lpd bound to inhibitor complex with 2-((2-cyano-N,5-dimethyl-1H-indole)-7-sulfonamido)-N-(4-(oxetan-3-yl)-3,4-dihydro-2H-benzo[b] [1,4]oxazin-7-yl)acetamide
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide
Authors:Kochanczyk, T, Arango, N, Lima, C.D.
Deposit date:2022-05-13
Release date:2022-05-25
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.17 Å)
Cite:Cryo-EM structure of Mtb Lpd bound to the inhibitor 2-((2-cyano-N,5-dimethyl-1H-indole)-7-sulfonamido)-N-(4-(oxetan-3-yl)-3,4-dihydro-2H-benzo[b] [1,4]oxazin-7-yl)acetamide at 2.17 Angstrom resolution
Not published
6V6G
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BU of 6v6g by Molmil
Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020

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PDB entries from 2024-08-21

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