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7LAA
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BU of 7laa by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1041
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, DH1041 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-06
公開日2021-03-17
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LAB
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BU of 7lab by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1052
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, DH1052 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LD1
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BU of 7ld1 by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1047
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, DH1047 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-12
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LCN
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BU of 7lcn by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1050.1
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, DH1050.1 heavy chain, ...
著者Manne, K, Acharya, P.
登録日2021-01-11
公開日2021-01-27
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
5YAX
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BU of 5yax by Molmil
Crystal structure of a human neutralizing antibody bound to a HBV preS1 peptide
分子名称: Large envelope protein, SODIUM ION, scFv1 antibody
著者Liu, X, Zheng, S, Ye, K, Sui, J.
登録日2017-09-02
公開日2017-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A potent human neutralizing antibody Fc-dependently reduces established HBV infections
Elife, 6, 2017
5IME
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BU of 5ime by Molmil
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
分子名称: 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
著者Li, D, Wang, W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
6IZ5
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BU of 6iz5 by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
分子名称: Trimeric intracellular cation channel type B-B
著者Li, D, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.701 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
著者Li, D, Wang, W.
登録日2016-06-17
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
6WPE
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BU of 6wpe by Molmil
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
分子名称: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A.
登録日2020-04-27
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7RRB
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BU of 7rrb by Molmil
IDO1 IN COMPLEX WITH COMPOUND 9
分子名称: 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A.
登録日2021-08-09
公開日2022-03-16
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
7RRC
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BU of 7rrc by Molmil
IDO1 IN COMPLEX WITH COMPOUND 14
分子名称: Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
著者Lesburg, C.A.
登録日2021-08-09
公開日2022-03-16
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
7LJR
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BU of 7ljr by Molmil
SARS-CoV-2 Spike Protein Trimer bound to DH1043 fab
分子名称: Fab DH1043 heavy chain, Fab DH1043 light chain, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-01-30
公開日2021-03-31
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献The functions of SARS-CoV-2 neutralizing and infection-enhancing antibodies in vitro and in mice and nonhuman primates.
Biorxiv, 2021
4R0U
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BU of 4r0u by Molmil
Tgvtava, an amyloid forming segment from alpha synuclein, residues 72-78
分子名称: Alpha-synuclein
著者Ivanova, M.I, Eisenberg, D.S, Sawaya, M.R.
登録日2014-08-01
公開日2014-12-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
4R0P
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BU of 4r0p by Molmil
Ifqins, an amyloid forming segment from human lysozyme spanning residues 56-61
分子名称: Lysozyme C
著者Sievers, S, Eisenberg, D.S, Sawaya, M.R.
登録日2014-08-01
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
4R0W
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BU of 4r0w by Molmil
Vvtgvta, an amyloid forming segment from alpha synuclein, residues 70-76
分子名称: Alpha-synuclein
著者Ivanova, M.I, Eisenberg, D.S, Sawaya, M.R.
登録日2014-08-01
公開日2014-12-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
8I2Q
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BU of 8i2q by Molmil
Beijerinckia indica beta-fructosyltransferase variant H395R/F473Y
分子名称: Beta-fructosyltransferase, GLYCEROL
著者Tonozuka, T.
登録日2023-01-15
公開日2023-06-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization and alteration of product specificity of Beijerinckia indica subsp. indica beta-fructosyltransferase.
Biosci.Biotechnol.Biochem., 87, 2023
8I2R
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BU of 8i2r by Molmil
Beijerinckia indica beta-fructosyltransferase variant H395R/F473Y in complex with fructose
分子名称: Beta-fructosyltransferase, MAGNESIUM ION, beta-D-fructofuranose, ...
著者Tonozuka, T.
登録日2023-01-15
公開日2023-06-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Characterization and alteration of product specificity of Beijerinckia indica subsp. indica beta-fructosyltransferase.
Biosci.Biotechnol.Biochem., 87, 2023
7BH8
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BU of 7bh8 by Molmil
3H4-Fab HLA-E-VL9 co-complex
分子名称: 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ...
著者Walters, L.C, Rozbesky, D.
登録日2021-01-10
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity.
Commun Biol, 5, 2022
3LGP
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BU of 3lgp by Molmil
Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor
分子名称: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
著者Orth, P.
登録日2010-01-21
公開日2010-07-28
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7C8P
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BU of 7c8p by Molmil
Structural and functional characterization of human group A rotavirus P[25] VP8*
分子名称: Outer capsid protein VP4
著者Duan, Z, Dandi, L.
登録日2020-06-03
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human group A rotavirus P[25] VP8* specifically binds to A-type histo-blood group antigen.
Virology, 555, 2021
4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
分子名称: CALCIUM ION, QDE-2-interacting protein
著者Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
登録日2014-09-03
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
分子名称: 2-keto acid:ferredoxin oxidoreductase subunit alpha
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-09-04
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
分子名称: Centromere protein M
著者Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
登録日2014-09-01
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
6WMW
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BU of 6wmw by Molmil
GFRAL receptor bound with two antibody Fabs (3P10, 25M22)
分子名称: FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ...
著者White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K.
登録日2020-04-21
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice.
Nat Med, 26, 2020
6CWA
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BU of 6cwa by Molmil
CRYSTAL STRUCTURE PHGDH IN COMPLEX WITH NADH AND 3-PHOSPHOGLYCERATE AT 1.77 A RESOLUTION
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase
著者Davies, D.R, Edwards, T.E.
登録日2018-03-30
公開日2019-08-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019

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