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PDB: 1278 results

4JRP
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Structure of E. coli Exonuclease I in complex with a 5cy-dT13 oligonucleotide
Descriptor: 5cy-dT13, Exodeoxyribonuclease I, GLYCEROL, ...
Authors:Bell, C.E.
Deposit date:2013-03-21
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion.
Nucleic Acids Res., 41, 2013
4JRQ
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Crystal structure of E. coli Exonuclease I in complex with a 5cy-dA13 oligonucleotide
Descriptor: 5cy-dA13, Exodeoxyribonuclease I, SULFATE ION
Authors:Bell, C.E.
Deposit date:2013-03-21
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion.
Nucleic Acids Res., 41, 2013
2RAC
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BU of 2rac by Molmil
AMICYANIN REDUCED, PH 7.7, 1.3 ANGSTROMS
Descriptor: COPPER (I) ION, PROTEIN (AMICYANIN)
Authors:Cunane, L.M, Chen, Z.-W, Durley, R.C.E, Mathews, F.S.
Deposit date:1998-10-02
Release date:1998-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin.
Biochemistry, 37, 1998
4KN0
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BU of 4kn0 by Molmil
Human folate receptor beta (FOLR2) in complex with the antifolate methotrexate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Folate receptor beta, ...
Authors:Wibowo, A.S, Dann III, C.E.
Deposit date:2013-05-08
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
2P1R
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BU of 2p1r by Molmil
Crystal structure of Salmonella typhimurium YegS, a putative lipid kinase homologous to eukaryotic sphingosine and diacylglycerol kinases.
Descriptor: CALCIUM ION, CHLORIDE ION, Lipid kinase yegS, ...
Authors:Nichols, C.E, Lamb, H.K, Lockyer, M, Charles, I.G, Pyne, S, Hawkins, A.R, Stammers, D.K.
Deposit date:2007-03-06
Release date:2007-10-23
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of Salmonella typhimurium YegS, a putative lipid kinase homologous to eukaryotic sphingosine and diacylglycerol kinases
Proteins: Struct.,Funct.,Genet., 68, 2007
2RCN
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BU of 2rcn by Molmil
Crystal Structure of the Ribosomal interacting GTPase YjeQ from the Enterobacterial species Salmonella Typhimurium.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Probable GTPase engC, ...
Authors:Nichols, C.E, Stammers, D.K.
Deposit date:2007-09-20
Release date:2008-01-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the ribosomal interacting GTPase YjeQ from the enterobacterial species Salmonella typhimurium.
Acta Crystallogr.,Sect.F, 63, 2007
2IWN
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BU of 2iwn by Molmil
3rd PDZ domain of Multiple PDZ Domain Protein MPDZ
Descriptor: MULTIPLE PDZ DOMAIN PROTEIN
Authors:Elkins, J.M, Gileadi, C, Savitsky, P, Berridge, G, Smee, C.E.A, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A.
Deposit date:2006-07-03
Release date:2006-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extension.
Protein Sci., 16, 2007
2IWY
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BU of 2iwy by Molmil
Human mitochondrial beta-ketoacyl ACP synthase
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE, AMMONIUM ION
Authors:Christensen, C.E, Kragelund, B.B, von Wettstein-Knowles, P, Henriksen, A.
Deposit date:2006-07-05
Release date:2007-02-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of the Human Beta-Ketoacyl [Acp] Synthase from the Mitochondrial Type II Fatty Acid Synthase.
Protein Sci., 16, 2007
4X89
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BU of 4x89 by Molmil
NavMs voltage-gated sodium channal pore and C-terminal domain soaked with Silver nitrate
Descriptor: HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-12-10
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
5R7W
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BU of 5r7w by Molmil
PanDDA analysis group deposition of ground-state model of INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-02
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5R86
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BU of 5r86 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z943693514 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, SULFATE ION, ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8H
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BU of 5r8h by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z111716368 in complex with INTERLEUKIN-1 BETA
Descriptor: Interleukin-1 beta, N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R8Y
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BU of 5r8y by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08078b in complex with MAP kinase p38-alpha
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9F
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BU of 5r9f by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13724a in complex with MAP kinase p38-alpha
Descriptor: 2-(4-aminophenyl)benzoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9V
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BU of 5r9v by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13596a in complex with MAP kinase p38-alpha
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6W8Z
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BU of 6w8z by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Descriptor: Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
Authors:Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
Deposit date:2020-03-21
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6W8Y
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BU of 6w8y by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Descriptor: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
Authors:Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
Deposit date:2020-03-21
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
5R8K
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BU of 5r8k by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z355728146 in complex with INTERLEUKIN-1 BETA
Descriptor: 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide, Interleukin-1 beta, SULFATE ION
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-03
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R92
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BU of 5r92 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL063 in complex with MAP kinase p38-alpha
Descriptor: (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide, ACETATE ION, CHLORIDE ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9I
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BU of 5r9i by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ795 in complex with MAP kinase p38-alpha
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
1SGK
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BU of 1sgk by Molmil
NUCLEOTIDE-FREE DIPHTHERIA TOXIN
Descriptor: DIPHTHERIA TOXIN (DIMERIC)
Authors:Bell, C.E, Eisenberg, D.
Deposit date:1996-09-12
Release date:1996-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of nucleotide-free diphtheria toxin.
Biochemistry, 36, 1997
5R9W
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BU of 5r9w by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13598a in complex with MAP kinase p38-alpha
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6W91
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BU of 6w91 by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Descriptor: Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
Authors:Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M.
Deposit date:2020-03-21
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
4OXS
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BU of 4oxs by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, HEGA-10, Ion transport protein, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-02-06
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
6DV3
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BU of 6dv3 by Molmil
Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG in the open gate state
Descriptor: Protein InvG
Authors:Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J.
Deposit date:2018-06-22
Release date:2018-10-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin.
Nat Commun, 9, 2018

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