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7Q2A
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BU of 7q2a by Molmil
Crystal structure of AphC in complex with 4-ethylcatechol
Descriptor: 4-ethylbenzene-1,2-diol, CALCIUM ION, Catechol 2,3-dioxygenase, ...
Authors:Zahn, M, Grigg, J.C, Eltis, L.D, McGeehan, J.E.
Deposit date:2021-10-25
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of a phylogenetically distinct extradiol dioxygenase involved in the bacterial catabolism of lignin-derived aromatic compounds.
J.Biol.Chem., 298, 2022
7Q04
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BU of 7q04 by Molmil
Crystal structure of TPADO in a substrate-free state
Descriptor: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ...
Authors:Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E.
Deposit date:2021-10-14
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
5WHU
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BU of 5whu by Molmil
Crystal structure of 3'SL bound ArtB
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ArtB protein, ...
Authors:Gao, X, Galan, J.E.
Deposit date:2017-07-18
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
5Y8R
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BU of 5y8r by Molmil
ZsYellow at pH 3.5
Descriptor: GFP-like fluorescent chromoprotein FP538
Authors:Bae, J.E, Kim, I.J, Nam, K.H.
Deposit date:2017-08-21
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Disruption of the hydrogen bonding network determines the pH-induced non-fluorescent state of the fluorescent protein ZsYellow by protonation of Glu221.
Biochem. Biophys. Res. Commun., 493, 2017
6VUI
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BU of 6vui by Molmil
Metabolite-bound PreQ1 riboswitch with Mn2+
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PREQ1 RIBOSWITCH
Authors:Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-02-15
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.681 Å)
Cite:Analysis of a preQ1-I riboswitch in effector-free and bound states reveals a metabolite-programmed nucleobase-stacking spine that controls gene regulation.
Nucleic Acids Res., 48, 2020
6VQ2
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BU of 6vq2 by Molmil
HLA-B*27:05 presenting an HIV-1 14mer peptide
Descriptor: 14-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-04
Release date:2021-02-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VQE
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BU of 6vqe by Molmil
HLA-B*27:05 presenting an HIV-1 13mer peptide
Descriptor: 13-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VQD
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BU of 6vqd by Molmil
HLA-B*27:05 presenting an HIV-1 8mer peptide
Descriptor: 8-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VQZ
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BU of 6vqz by Molmil
HLA-B*27:05 presenting an HIV-1 6mer peptide
Descriptor: 6-mer peptide, ARGININE, Beta-2-microglobulin, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-06
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VQY
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BU of 6vqy by Molmil
HLA-B*27:05 presenting an HIV-1 7mer peptide
Descriptor: 7-mer peptide, ARGININE, Beta-2-microglobulin, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-06
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6VPZ
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BU of 6vpz by Molmil
HLA-B*27:05 presenting an HIV-1 11mer peptide
Descriptor: 11-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-04
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6W7L
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BU of 6w7l by Molmil
Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p
Descriptor: 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.856 Å)
Cite:Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
6W7K
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BU of 6w7k by Molmil
Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p
Descriptor: 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
6WJP
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BU of 6wjp by Molmil
Crystal structure of Arginine Repressor P115Q mutant from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to arginine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ARGININE, ...
Authors:Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B.
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020
6WJO
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BU of 6wjo by Molmil
Crystal structure of wild-type Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to tyrosine
Descriptor: Arginine repressor, SODIUM ION, SULFATE ION, ...
Authors:Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B.
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020
6WKO
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BU of 6wko by Molmil
Structure of an influenza C virus hemagglutinin-esterase-fusion (HEF2) intermediate
Descriptor: CHLORIDE ION, Hemagglutinin-esterase-fusion glycoprotein
Authors:Serrao, V.H.B, Lee, J.E.
Deposit date:2020-04-16
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Snapshot of an influenza virus glycoprotein fusion intermediate.
Cell Rep, 35, 2021
6XH0
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BU of 6xh0 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.9
Descriptor: MAGNESIUM ION, TAR binding protein 6.9, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
6XL3
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BU of 6xl3 by Molmil
Mastigocladopsis repens rhodopsin chloride pump
Descriptor: CHLORIDE ION, DECANE, Mastigocladopsis repens rhodopsin chloride pump, ...
Authors:Besaw, J.E, Ernst, O.P, Ou, W, Morizumi, T.
Deposit date:2020-06-28
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The crystal structures of a chloride-pumping microbial rhodopsin and its proton-pumping mutant illuminate proton transfer determinants.
J.Biol.Chem., 295, 2020
6XH3
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BU of 6xh3 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.3
Descriptor: TAR BINDING PROTEIN TBP 6.3, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
6XMJ
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BU of 6xmj by Molmil
Human 20S proteasome bound to an engineered 11S (PA26) activator
Descriptor: Proteasome activator protein PA26, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:de la Pena, A.H, Opoku-Nsiah, K.A, Williams, S.K, Chopra, N, Sali, A, Gestwicki, J.E, Lander, G.C.
Deposit date:2020-06-30
Release date:2020-07-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The Y Phi motif defines the structure-activity relationships of human 20S proteasome activators.
Nat Commun, 13, 2022
1A54
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BU of 1a54 by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT A197C LABELLED WITH A COUMARIN FLUOROPHORE AND BOUND TO DIHYDROGENPHOSPHATE ION
Descriptor: DIHYDROGENPHOSPHATE ION, N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE, Phosphate-binding protein PstS
Authors:Hirshberg, M, Henrick, K, Lloyd-Haire, L, Vasisht, N, Brune, M, Corrie, J.E.T, Webb, M.R.
Deposit date:1998-02-19
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of phosphate binding protein labeled with a coumarin fluorophore, a probe for inorganic phosphate.
Biochemistry, 37, 1998
1A55
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BU of 1a55 by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT A197C
Descriptor: DIHYDROGENPHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Hirshberg, M, Henrick, K, Lloyd-Haire, L, Vasisht, N, Brune, M, Corrie, J.E.T, Webb, M.R.
Deposit date:1998-02-19
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of phosphate binding protein labeled with a coumarin fluorophore, a probe for inorganic phosphate.
Biochemistry, 37, 1998
6WP8
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BU of 6wp8 by Molmil
Proton-pumping mutant of Mastigocladopsis repens rhodopsin chloride pump
Descriptor: Proton-pumping rhodopsin chloride pump, RETINAL, octyl beta-D-glucopyranoside
Authors:Besaw, J.E, Ernst, O.P, Ou, W, Morizumi, T.
Deposit date:2020-04-26
Release date:2020-07-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structures of a chloride-pumping microbial rhodopsin and its proton-pumping mutant illuminate proton transfer determinants.
J.Biol.Chem., 295, 2020
6XKO
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BU of 6xko by Molmil
Class III PreQ1 riboswitch mutant A84G
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, Class III PreQ1 riboswitch
Authors:Srivastava, K.Y, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-26
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:New insights into Class III PreQ1 metabolite binding
To Be Published
6XKN
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BU of 6xkn by Molmil
Class III PreQ1 riboswitch mutant A52G
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, Class III PreQ1 riboswitch
Authors:Srivastava, K.Y, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-26
Release date:2021-12-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:New insights into Class III PreQ1 metabolite binding
To Be Published

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