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8T09
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BU of 8t09 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-2-hydroxy-1-naphthaldehyde)
Descriptor: 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Bruystens, J.G.H.
Deposit date:2023-05-31
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8TJ8
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BU of 8tj8 by Molmil
CRYSTAL STRUCTURE OF THE A/Moscow/10/1999(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ4
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BU of 8tj4 by Molmil
CRYSTAL STRUCTURE OF THE A/Bangkok/1/1979(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ9
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BU of 8tj9 by Molmil
CRYSTAL STRUCTURE OF THE A/Michigan/15/2014(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJA
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BU of 8tja by Molmil
CRYSTAL STRUCTURE OF THE A/Ecuador/1374/2016(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ7
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BU of 8tj7 by Molmil
CRYSTAL STRUCTURE OF THE A/Shandong/9/1993(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJB
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BU of 8tjb by Molmil
CRYSTAL STRUCTURE OF THE A/Texas/73/2017(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ6
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BU of 8tj6 by Molmil
CRYSTAL STRUCTURE OF THE A/Beijing/353/1989(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8SU8
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BU of 8su8 by Molmil
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
Descriptor: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Bruystens, J.G.H.
Deposit date:2023-05-11
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
1FXR
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BU of 1fxr by Molmil
CRYSTAL STRUCTURE OF THE FERREDOXIN I FROM DESULFOVIBRIO AFRICANUS AT 2.3 ANGSTROMS RESOLUTION
Descriptor: FERREDOXIN I, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Frey, M, Roth, M.
Deposit date:1994-11-14
Release date:1995-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ferredoxin I from Desulfovibrio africanus at 2.3 A resolution.
Biochemistry, 33, 1994
8OKM
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BU of 8okm by Molmil
Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKL
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BU of 8okl by Molmil
Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKK
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BU of 8okk by Molmil
Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8OKN
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BU of 8okn by Molmil
Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2023-03-28
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
8D14
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BU of 8d14 by Molmil
Helical ADP-Pi-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D18
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BU of 8d18 by Molmil
Straight ADP-F-actin 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D15
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BU of 8d15 by Molmil
Bent ADP-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D13
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BU of 8d13 by Molmil
Helical ADP-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
6N58
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BU of 6n58 by Molmil
Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation II
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-21
Release date:2020-02-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
8D17
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BU of 8d17 by Molmil
Straight ADP-F-actin 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D16
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BU of 8d16 by Molmil
Bent ADP-Pi-F-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Reynolds, M.J, Alushin, G.M.
Deposit date:2022-05-26
Release date:2022-09-07
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
6N57
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BU of 6n57 by Molmil
Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation I
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-21
Release date:2020-02-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
2FIE
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BU of 2fie by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors
Descriptor: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1
Authors:Abad-Zapatero, C.
Deposit date:2005-12-29
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FIX
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BU of 2fix by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors
Descriptor: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
Descriptor: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006

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