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7VWV
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BU of 7vwv by Molmil
The crystal structure of African swine fever virus I73R
分子名称: I73R
著者Shen, Z, Liang, R.
登録日2021-11-11
公開日2022-11-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献African swine fever virus I73R is a critical virulence-related gene: A potential target for attenuation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GXC
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BU of 8gxc by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NMN
分子名称: 61-mer RNA, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Xu, X.C, Ren, A.M.
登録日2022-09-19
公開日2023-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
8GXB
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BU of 8gxb by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NAD+
分子名称: MAGNESIUM ION, NAD+ II riboswitch, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Xu, X.C, Ren, A.M.
登録日2022-09-19
公開日2023-01-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
8HBS
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BU of 8hbs by Molmil
Crystal of rAlfNmt
分子名称: Glycylpeptide N-tetradecanoyltransferase
著者Wang, Y, Wang, S.
登録日2022-10-30
公開日2023-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献N -Myristoyltransferase, a Potential Antifungal Candidate Drug-Target for Aspergillus flavus.
Microbiol Spectr, 11, 2023
5LP0
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BU of 5lp0 by Molmil
CRYSTAL STRUCTURE OF THE ZEBRA FISH ENTH DOMAIN FROM EPSIN1 IN 1.41 ANGSTROM RESOLUTION
分子名称: Epsin 1, PHOSPHATE ION
著者Levin-Kravets, O, Prag, G.
登録日2016-08-11
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A bacterial genetic selection system for ubiquitylation cascade discovery.
Nat.Methods, 13, 2016
7XS8
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BU of 7xs8 by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, P5S-1H1 Heavy chain, P5S-1H1 Light chain, ...
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
2Q1L
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BU of 2q1l by Molmil
Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors
分子名称: (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
著者Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C.
登録日2007-05-24
公開日2007-07-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
7XSA
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BU of 7xsa by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P2S-2E9 Fab
分子名称: P2S-2E9 Heavy chain, P2S-2E9 Light chain, Spike protein S1
著者Wang, X, Wang, Z.
登録日2022-05-13
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSB
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BU of 7xsb by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-3B11 Fab
分子名称: P5S-3B11 Heavy chain, P5S-3B11 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Gao, M.
登録日2022-05-13
公開日2023-05-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
分子名称: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Lin, Z.
登録日2022-05-13
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
5FOO
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BU of 5foo by Molmil
6-phospho-beta-glucosidase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ...
著者Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J.
登録日2015-11-24
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases.
FEBS Lett., 590, 2016
3PPX
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BU of 3ppx by Molmil
Crystal structure of the N1602A mutant of an engineered VWF A2 domain (N1493C and C1670S)
分子名称: SODIUM ION, von Willebrand factor
著者Zhou, M, Dong, X, Zhong, C, Ding, J.
登録日2010-11-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PPW
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BU of 3ppw by Molmil
Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S)
分子名称: SODIUM ION, von Willebrand factor
著者Zhou, M, Dong, X, Zhong, C, Ding, J.
登録日2010-11-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3QUP
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BU of 3qup by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
分子名称: (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone, Tyrosine-protein kinase receptor TYRO3
著者Ohren, J.F.
登録日2011-02-24
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel and selective spiroindoline-based inhibitors of sky kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3PPY
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BU of 3ppy by Molmil
Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S)
分子名称: SODIUM ION, von Willebrand factor
著者Zhou, M, Dong, X, Zhong, C, Ding, J.
登録日2010-11-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PPV
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BU of 3ppv by Molmil
Crystal structure of an engineered VWF A2 domain (N1493C and C1670S)
分子名称: CALCIUM ION, SULFATE ION, von Willebrand factor
著者Zhou, M, Dong, X, Zhong, C, Ding, J.
登録日2010-11-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
5GN8
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BU of 5gn8 by Molmil
Structure of a 48-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign
分子名称: CALCIUM ION, Ferritin heavy chain
著者Zhang, S, Zang, J, Zhao, G, Mikami, B.
登録日2016-07-19
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献"Silent" Amino Acid Residues at Key Subunit Interfaces Regulate the Geometry of Protein Nanocages
ACS Nano, 10, 2016
4P0N
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BU of 4p0n by Molmil
Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor
分子名称: GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ...
著者Chmait, S.
登録日2014-02-21
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
分子名称: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4P1R
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BU of 4p1r by Molmil
Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
分子名称: GLYCEROL, N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine, SULFATE ION, ...
著者Chmait, S.
登録日2014-02-27
公開日2014-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
4OBQ
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BU of 4obq by Molmil
MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
4OBP
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BU of 4obp by Molmil
MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
4OBO
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BU of 4obo by Molmil
MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
7V6F
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BU of 7v6f by Molmil
Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P
分子名称: Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION
著者Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J.
登録日2021-08-20
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022

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