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7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
分子名称: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
分子名称: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
6CEZ
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BU of 6cez by Molmil
Crystal Structure of Rabbit Anti-HIV-1 gp120 V2 Fab 16C2 in complex with V2 peptide ConB
分子名称: HIV-1 gp120 V2 Peptide Con B, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2
著者Kong, X, Pan, R.
登録日2018-02-13
公開日2018-09-12
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7.
PLoS Pathog., 14, 2018
3WJ7
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BU of 3wj7 by Molmil
Crystal structure of gox2253
分子名称: MERCURY (II) ION, Putative oxidoreductase
著者Yuan, Y.A, Yin, B.
登録日2013-10-05
公開日2014-06-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into substrate and coenzyme preference by SDR family protein Gox2253 from Gluconobater oxydans.
Proteins, 82, 2014
3AWD
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BU of 3awd by Molmil
Crystal structure of gox2181
分子名称: CADMIUM ION, MAGNESIUM ION, Putative polyol dehydrogenase
著者Adam Yuan, Y, Yuan, Z.
登録日2011-03-18
公開日2012-02-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural analysis of Gox2181, a new member of the SDR superfamily from Gluconobacter oxydans.
Biochem.Biophys.Res.Commun., 415, 2011
3C1X
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BU of 3c1x by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-MET in complex with a Pyrrolotriazine based inhibitor
分子名称: Hepatocyte growth factor receptor, N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
著者Sack, J.
登録日2008-01-24
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Identification of pyrrolo[2,1-f][1,2,4]triazine-based inhibitors of Met kinase.
Bioorg.Med.Chem.Lett., 18, 2008
4GE6
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BU of 4ge6 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 7
分子名称: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide, Tyrosine-protein phosphatase non-receptor type 9
著者Zhang, Z.-Y, Liu, S, Zhang, S.
登録日2012-08-01
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
4GE2
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BU of 4ge2 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 3
分子名称: N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
著者Zhang, Z.-Y, Liu, S, Zhang, S.
登録日2012-08-01
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
4GE5
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BU of 4ge5 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 5
分子名称: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
著者Zhang, Z.-Y, Liu, S, Zhang, S.
登録日2012-08-01
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
3F82
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BU of 3f82 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
分子名称: N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, hepatocyte growth factor receptor
著者Sack, J.
登録日2008-11-11
公開日2009-03-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily
J.Med.Chem., 52, 2009
3CTH
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BU of 3cth by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
分子名称: Hepatocyte growth factor receptor, N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
著者Sack, J.
登録日2008-04-14
公開日2008-06-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CTJ
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BU of 3ctj by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
分子名称: 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide, Hepatocyte growth factor receptor
著者Sack, J.
登録日2008-04-14
公開日2008-06-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
5CHL
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BU of 5chl by Molmil
Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex
分子名称: Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog
著者Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z.
登録日2015-07-10
公開日2016-03-09
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
6JJI
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BU of 6jji by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 (1:1)
分子名称: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
著者Zhang, Y.S, Parkinson, G.N, Wei, D.G.
登録日2019-02-25
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJH
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BU of 6jjh by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4
分子名称: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
著者Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
登録日2019-02-25
公開日2020-02-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJF
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BU of 6jjf by Molmil
Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ...
著者Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
登録日2019-02-25
公開日2020-02-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
3WUY
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BU of 3wuy by Molmil
Crystal structure of Nit6803
分子名称: Nitrilase
著者Yuan, Y.A, Yin, B, Wang, C.
登録日2014-05-09
公開日2014-12-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803
J.Struct.Biol., 188, 2014
5XXY
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BU of 5xxy by Molmil
Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A
分子名称: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab
著者Zhou, A, Zhang, F.
登録日2017-07-05
公開日2017-09-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab.
Oncotarget, 8, 2017
7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
分子名称: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Yu, X.
登録日2020-12-14
公開日2021-12-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Yu, X.
登録日2020-12-14
公開日2021-12-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
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