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PDB: 340 件
1N8B
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BU of 1n8b by Molmil
Bacteriophage T4 baseplate structural protein gp8
分子名称: BROMIDE ION, baseplate structural protein gp8
著者Leiman, P.G, Shneider, M.M, Kostyuchenko, V.A, Chipman, P.R, Mesyanzhinov, V.V, Rossmann, M.G.
登録日2002-11-20
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and location of gene product 8 in the bacteriophage T4 baseplate
J.Mol.Biol., 328, 2003
7UEB
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BU of 7ueb by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
著者Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
登録日2022-03-21
公開日2022-10-05
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
3BJU
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BU of 3bju by Molmil
Crystal Structure of tetrameric form of human lysyl-tRNA synthetase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, LYSINE, ...
著者Guo, M, Yang, X.L, Schimmel, P.
登録日2007-12-04
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of tetrameric form of human lysyl-tRNA synthetase: Implications for multisynthetase complex formation
Proc.Natl.Acad.Sci.Usa, 105, 2008
3HTZ
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BU of 3htz by Molmil
Crystal Structure of the catalytic fragment of alanyl-tRNA synthetase in complex with L-serine: Re-refined
分子名称: Alanyl-tRNA synthetase
著者Guo, M, Swairjo, M.A, Schimmel, P.
登録日2009-06-12
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Serine Paradox
To be Published
5T76
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A fragment of a human tRNA synthetase
分子名称: Alanine--tRNA ligase, cytoplasmic
著者Sun, L, Schimmel, P.
登録日2016-09-02
公開日2016-11-30
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two crystal structures reveal design for repurposing the C-Ala domain of human AlaRS.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7F3Z
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Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
著者Vanichtanankul, J, Tanramluk, D, Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
登録日2021-06-17
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
4D0W
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Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
分子名称: 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2
著者Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
登録日2014-04-30
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4D1S
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Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
分子名称: 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2
著者Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
登録日2014-05-05
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
3IY2
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Variable domains of the computer generated model (WAM) of Fab 6 fitted into the cryoEM reconstruction of the virus-Fab 6 complex
分子名称: Antibody 6, heavy chain, light chain
著者Hafenstein, S, Bowman, V.D, Sun, T, Nelson, C.D, Palermo, L.M, Chipman, P.R, Battisti, A.J, Parrish, C.R, Rossmann, M.G.
登録日2009-04-09
公開日2009-05-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (18 Å)
主引用文献Structural comparison of different antibodies interacting with parvovirus capsids
J.Virol., 83, 2009
4D0X
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Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
分子名称: 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2
著者Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D.
登録日2014-04-30
公開日2014-07-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
7UEA
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BU of 7uea by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
著者Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
登録日2022-03-21
公開日2022-10-05
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
3DGA
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BU of 3dga by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF01302, NADPH, and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, ...
著者Dasgupta, T, Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Nichols, S, Lyons, T.M, Tirado-Rives, J, Jorgensen, W.L, Yuthavong, Y, Anderson, K.S.
登録日2008-06-13
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.
Acs Chem.Biol., 4, 2009
3IXX
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BU of 3ixx by Molmil
The pseudo-atomic structure of West Nile immature virus in complex with Fab fragments of the anti-fusion loop antibody E53
分子名称: E53 Fab Fragment (chain H), E53 Fab Fragment (chain L), Envelope protein E, ...
著者Cherrier, M.V, Kaufmann, B, Nybakken, G.E, Lok, S.M, Warren, J.T, Nelson, C.A, Kostyuchenko, V.A, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Diamond, M.S, Rossmann, M.G, Fremont, D.H.
登録日2009-02-26
公開日2009-10-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody
Embo J., 28, 2009
3IYA
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BU of 3iya by Molmil
Association of the pr peptides with dengue virus blocks membrane fusion at acidic pH
分子名称: Envelope protein, prM protein
著者Yu, I, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Rossmann, M.G, Chen, J.
登録日2009-06-01
公開日2010-04-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (22 Å)
主引用文献Association of the pr peptides with dengue virus at acidic pH blocks membrane fusion.
J.Virol., 83, 2009
3G98
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Crystal Structure of the C-Ala domain from Aquifex aeolicus alanyl-tRNA synthetase
分子名称: Alanyl-tRNA synthetase
著者Guo, M, Yang, X.L, Schimmel, P.
登録日2009-02-13
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The C-Ala domain brings together editing and aminoacylation functions on one tRNA.
Science, 325, 2009
5V58
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Crystal structure of human prolyl-tRNA synthetase in complex with Aze-SA
分子名称: 5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine, Bifunctional glutamate/proline--tRNA ligase, ZINC ION
著者Zhou, H, Song, Y, Schimmel, P.
登録日2017-03-13
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Double mimicry evades tRNA synthetase editing by toxic vegetable-sourced non-proteinogenic amino acid.
Nat Commun, 8, 2017
3HXY
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Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP
分子名称: 2-HYDROXYETHYL DISULFIDE, 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine, Alanyl-tRNA synthetase, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
3HY1
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BU of 3hy1 by Molmil
Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with SerSA
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-HYDROXYETHYL DISULFIDE, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
3HXZ
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Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with AlaSA
分子名称: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
3HXU
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Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AlaSA
分子名称: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
3HXV
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Crystal Structure of catalytic fragment of E. coli AlaRS in complex with GlySA
分子名称: 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
3IY4
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BU of 3iy4 by Molmil
Variable domains of the computer generated model (WAM) of Fab 15 fitted into the cryoEM reconstruction of the virus-Fab 15 complex
分子名称: fragment of neutralizing antibody 15 (heavy chain), fragment of neutralizing antibody 15 (light chain)
著者Hafenstein, S, Bowman, V.D, Sun, T, Nelson, C.D, Palermo, L.M, Chipman, P.R, Battisti, A.J, Parrish, C.R, Rossmann, M.G.
登録日2009-04-09
公開日2009-05-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (11.7 Å)
主引用文献Structural comparison of different antibodies interacting with parvovirus capsids
J.Virol., 83, 2009
3J0B
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cryo-EM reconstruction of West Nile virus
分子名称: envelope glycoprotein E
著者Zhang, W, Kaufmann, B, Chipman, P.R, Kuhn, R.J, Rossmann, M.G.
登録日2011-06-15
公開日2012-12-19
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10.3 Å)
主引用文献Membrane curvature in flaviviruses.
J.Struct.Biol., 183, 2013
3IY6
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Variable domains of the computer generated model (WAM) of Fab E fitted into the cryoEM reconstruction of the virus-Fab E complex
分子名称: fragment from neutralizing antibody E (heavy chain), fragment from neutralizing antibody E (light chain)
著者Hafenstein, S, Bowman, V.D, Sun, T, Nelson, C.D, Palermo, L.M, Chipman, P.R, Battisti, A.J, Parrish, C.R, Rossmann, M.G.
登録日2009-04-09
公開日2009-05-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Structural comparison of different antibodies interacting with parvovirus capsids
J.Virol., 83, 2009
3IY5
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Variable domains of the mouse Fab (1AIF) fitted into the cryoEM reconstruction of the virus-Fab 16 complex
分子名称: antibody fragment IGG2A (heavy chain), antibody fragment IGG2A (light chain)
著者Hafenstein, S, Bowman, V.D, Sun, T, Nelson, C.D, Palermo, L.M, Chipman, P.R, Battisti, A.J, Parrish, C.R, Rossmann, M.G.
登録日2009-04-09
公開日2009-05-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (18 Å)
主引用文献Structural comparison of different antibodies interacting with parvovirus capsids
J.Virol., 83, 2009

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