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3KQV
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BU of 3kqv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Formanilide
Descriptor: FORMANILIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KG9
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BU of 3kg9 by Molmil
Dehydratase domain from CurK module of Curacin polyketide synthase
Descriptor: CurK
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
6WYE
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BU of 6wye by Molmil
Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE)
Descriptor: (2S)-2-hydroxybutanedioic acid, SODIUM ION, Serine acetyltransferase
Authors:Hicks, J.L, Oldham, K.E, Summers, E.L, Prentice, E.J.
Deposit date:2020-05-12
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
Biochem.J., 479, 2022
3KLA
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BU of 3kla by Molmil
Ca2+ release from the endoplasmic reticulum of NY-ESO-1 specific T cells is modulated by the affinity of T cell receptor and by the use of the CD8 co-receptor
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Chen, J.L, Morgan, A.J, Stewart-Jones, G, Shepherd, D, Bossi, G, Wooldridge, L.
Deposit date:2009-11-07
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Ca2+ Release from the Endoplasmic Reticulum of NY-ESO-1-Specific T Cells Is Modulated by the Affinity of TCR and by the Use of the CD8 Coreceptor.
J.Immunol., 184, 2010
3KPW
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BU of 3kpw by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline
Descriptor: ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQP
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BU of 3kqp by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline
Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
7S6K
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BU of 7s6k by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6L
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BU of 7s6l by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (conformation 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6J
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BU of 7s6j by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, J08 fragment antigen binding heavy chain variable domain, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6I
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BU of 7s6i by Molmil
SARS-CoV-2-6P-Mut2 S protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2021-09-14
Release date:2022-05-11
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WW6
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BU of 6ww6 by Molmil
Crystal structure of EutV bound to RNA
Descriptor: BERYLLIUM TRIFLUORIDE ION, Response regulator, eutP P2
Authors:Ataide, S.F, Walshe, J.L.
Deposit date:2020-05-07
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural characterization of the ANTAR antiterminator domain bound to RNA.
Nucleic Acids Res., 50, 2022
3KQT
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BU of 3kqt by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Amino-1-methylbenzimidazole
Descriptor: 1-methyl-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KT2
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BU of 3kt2 by Molmil
Crystal Structure of N88D mutant HIV-1 Protease
Descriptor: Protease
Authors:Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V.
Deposit date:2009-11-24
Release date:2010-02-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S.
Biochem.Biophys.Res.Commun., 389, 2009
7S3A
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BU of 7s3a by Molmil
Crystal structure of intact U2AF65 RRM-region bound to AdML-C5 oligonucleotide
Descriptor: DNA/RNA (5'-R(P*UP*UP*(UD)P*CP*U)-D(P*(BRU))-R(P*CP*C)-3'), SODIUM ION, Splicing factor U2AF 65 kDa subunit
Authors:Jenkins, J.L, Henderson, S, Kielkopf, C.L.
Deposit date:2021-09-05
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Pre-mRNA splicing factor U2AF2 recognizes distinct conformations of nucleotide variants at the center of the pre-mRNA splice site signal.
Nucleic Acids Res., 50, 2022
7S3B
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BU of 7s3b by Molmil
Crystal structure of intact U2AF65 RRM-region bound to AdML-G5 oligonucleotide
Descriptor: DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(P*UP*UP*(UD)P*GP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
Authors:Jenkins, J.L, Henderson, S, Kielkopf, C.L.
Deposit date:2021-09-05
Release date:2022-05-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Pre-mRNA splicing factor U2AF2 recognizes distinct conformations of nucleotide variants at the center of the pre-mRNA splice site signal.
Nucleic Acids Res., 50, 2022
7S3C
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BU of 7s3c by Molmil
Crystal structure of intact U2AF65 RRM-region bound to AdML-A5 oligonucleotide
Descriptor: DNA/RNA (5'-R(P*UP*UP*(UD)P*AP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
Authors:Glasser, E, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2021-09-05
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Pre-mRNA splicing factor U2AF2 recognizes distinct conformations of nucleotide variants at the center of the pre-mRNA splice site signal.
Nucleic Acids Res., 50, 2022
3KG7
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BU of 3kg7 by Molmil
Dehydratase domain from CurH module of Curacin polyketide synthase
Descriptor: CurH
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KPU
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BU of 3kpu by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol
Descriptor: Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-4-ol
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR0
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BU of 3kr0 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-6-ol
Descriptor: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KT5
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BU of 3kt5 by Molmil
Crystal Structure of N88S mutant HIV-1 Protease
Descriptor: Protease
Authors:Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V.
Deposit date:2009-11-24
Release date:2010-02-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S.
Biochem.Biophys.Res.Commun., 389, 2009
6XLW
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BU of 6xlw by Molmil
Crystal structure of U2AF65 bound to AdML splice site sequence
Descriptor: DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(P*UP*UP*(UD)P*UP*U)-D(P*(BRU))-R(P*CP*C)-3'), GLYCEROL, ...
Authors:Maji, D, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2020-06-29
Release date:2020-10-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Representative cancer-associated U2AF2 mutations alter RNA interactions and splicing.
J.Biol.Chem., 295, 2020
6XH1
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BU of 6xh1 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.7 mutant
Descriptor: TAR binding protein mutant 6.7 Q48R/T50R, 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 (2.601 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
6XYU
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BU of 6xyu by Molmil
Update of AChE from Drosophila Melanogaster complex with tacrine derivative 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine
Descriptor: 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, IODIDE ION, ...
Authors:Nachon, F, Sussman, J.L.
Deposit date:2020-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
3KR2
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BU of 3kr2 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-fluoro-1H-benzo[d]imidazol-2-amine
Descriptor: 6-fluoro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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

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