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5W5S
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BU of 5w5s by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141019 (P5)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-ZCL-GLU-TRP-LEU-SER-BAL, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-15
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6R
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BU of 5w6r by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141099 (P6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-9WV, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-16
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.731 Å)
主引用文献Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5FV2
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BU of 5fv2 by Molmil
Crystal structure of hVEGF in complex with VH domain antibody
分子名称: VASCULAR ENDOTHELIAL GROWTH FACTOR, VH DOMAIN ANTIBODY
著者Chung, C, Batuwangala, T.
登録日2016-02-02
公開日2016-02-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
4R72
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BU of 4r72 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (apo form)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC-type Fe3+ transport system, periplasmic component, ...
著者Sit, B, Calmettes, C, Moraes, T.F.
登録日2014-08-26
公開日2015-08-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
5X94
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BU of 5x94 by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_D peptide complex
分子名称: Cag pathogenicity island protein, Tyrosine-protein phosphatase non-receptor type 11
著者Senda, M, Senda, T.
登録日2017-03-05
公開日2017-09-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017
5FV1
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BU of 5fv1 by Molmil
Crystal structure of hVEGF in complex with VK domain antibody
分子名称: VASCULAR ENDOTHELIAL GROWTH FACTOR A, VK DOMAIN ANTIBODY
著者Chung, C, Walker, A.
登録日2016-02-02
公開日2016-02-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
5X7B
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BU of 5x7b by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_C peptide complex
分子名称: CagA, Tyrosine-protein phosphatase non-receptor type 11
著者Senda, M, Senda, T.
登録日2017-02-24
公開日2017-09-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017
7LZD
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BU of 7lzd by Molmil
Crystal Structure of SETD2 bound to Compound 35
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETD2, ...
著者Farrow, N.A, Boriack-Sjodin, P.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
7LZB
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BU of 7lzb by Molmil
Crystal Structure of SETD2 bound to Compound 2
分子名称: BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD2, N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide, ...
著者Farrow, N.A, Boriack-Sjodin, P.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
7LZF
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BU of 7lzf by Molmil
Crystal Structure of SETD2 bound to Compound 57
分子名称: 1,2-ETHANEDIOL, 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide, Histone-lysine N-methyltransferase SETD2, ...
著者Farrow, N.A, Boriack-Sjodin, P.
登録日2021-03-09
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
6CNV
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BU of 6cnv by Molmil
INFLUENZA B/BRISBANE HEMAGGLUTININ FAB CR9115 SD84H COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR9114 Fab heavy chain, ...
著者Luo, J, Obmolova, G.
登録日2018-03-09
公開日2018-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
6CK8
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BU of 6ck8 by Molmil
Crystal structure of anti-influenza single-domain llama antibody SD38
分子名称: GLYCEROL, Llama antibody SD38, PENTAETHYLENE GLYCOL, ...
著者Zhu, X, Wilson, I.A.
登録日2018-02-27
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
2PWO
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BU of 2pwo by Molmil
Crystal Structure of HIV-1 CA146 A92E Psuedo Cell
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol)
著者Kelly, B.N.
登録日2007-05-11
公開日2007-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2PWM
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BU of 2pwm by Molmil
Crystal Structure of HIV-1 CA146 A92E real cell
分子名称: CHLORIDE ION, Gag-Pol polyprotein
著者Kelly, B.N.
登録日2007-05-11
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
6CNW
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BU of 6cnw by Molmil
STRUCTURE OF HUMANIZED SINGLE DOMAIN ANTIBODY SD84
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, humanized antibody SD84h
著者Luo, J, Obmolova, O.
登録日2018-03-09
公開日2018-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
2PXR
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BU of 2pxr by Molmil
Crystal Structure of HIV-1 CA146 in the Presence of CAP-1
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), ZINC ION
著者Kelly, B.N.
登録日2007-05-14
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
3TOL
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BU of 3tol by Molmil
Crystal structure of an engineered cytochrome cb562 that forms 1D, Zn-mediated coordination polymers
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ...
著者Brodin, J.B, Tezcan, F.A.
登録日2011-09-05
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal-directed, chemically tunable assembly of one-, two- and three-dimensional crystalline protein arrays.
Nat Chem, 4, 2012
6VJE
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BU of 6vje by Molmil
Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole
分子名称: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F, Kumar, V.
登録日2020-01-15
公開日2020-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3.
Antimicrob.Agents Chemother., 64, 2020
3TOM
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BU of 3tom by Molmil
Crystal structure of an engineered cytochrome cb562 that forms 2D, Zn-mediated sheets
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
著者Brodin, J.B, Tezcan, F.A.
登録日2011-09-05
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Metal-directed, chemically tunable assembly of one-, two- and three-dimensional crystalline protein arrays.
Nat Chem, 4, 2012
5IL1
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BU of 5il1 by Molmil
Crystal structure of SAM-bound METTL3-METTL14 complex
分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL0
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BU of 5il0 by Molmil
Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL2
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BU of 5il2 by Molmil
Crystal structure of SAH-bound METTL3-METTL14 complex
分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
7TY3
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BU of 7ty3 by Molmil
Crystal Structure of SETD2 Bound to an Indole-based Inhibitor
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETD2, N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, ...
著者Farrow, N.A.
登録日2022-02-11
公開日2022-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
7TY2
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BU of 7ty2 by Molmil
Crystal Structure of SETD2 Bound to an Indole-based Inhibitor
分子名称: Histone-lysine N-methyltransferase SETD2, N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, ...
著者Farrow, N.A.
登録日2022-02-11
公開日2022-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.438 Å)
主引用文献Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
1FGI
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BU of 1fgi by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH SU5402 INHIBITOR
分子名称: 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE, FGF RECEPTOR 1
著者Mohammadi, M, Schlessinger, J, Hubbard, S.R.
登録日1997-03-22
公開日1998-04-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the tyrosine kinase domain of fibroblast growth factor receptor in complex with inhibitors.
Science, 276, 1997

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