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4KGI
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BU of 4kgi by Molmil
Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-his-tag linker in active site
分子名称: GLUTATHIONE, Glutathione S-transferase
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-04-29
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-His-tag linker in active site
To be published
7BAY
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BU of 7bay by Molmil
Crystal structure of CbpF from Streptococcus pneumoniae complexed with a Ytterbium derivative
分子名称: CHOLINE ION, Choline-binding protein F, GLYCEROL, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2020-12-16
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献First Lanthanide Complex for De Novo Phasing in Native Protein Crystallography at 1 angstrom Radiation
Acs Appl Bio Mater, 4, 2021
7BHP
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BU of 7bhp by Molmil
Cryo-EM structure of the human Ebp1 - 80S ribosome
分子名称: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Desogus, J, Bhaskar, V, Chao, J.A.
登録日2021-01-11
公開日2021-02-03
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Dynamic association of human Ebp1 with the ribosome.
Rna, 27, 2021
7B9B
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BU of 7b9b by Molmil
Crystal structure of human 5' exonuclease Appollo APO form
分子名称: 5' exonuclease Apollo, NICKEL (II) ION
著者Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-12-14
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
7E6V
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BU of 7e6v by Molmil
The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa
分子名称: ACETATE ION, Protein 2C
著者Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S.
登録日2021-02-24
公開日2022-06-29
最終更新日2022-07-20
実験手法X-RAY DIFFRACTION (1.832 Å)
主引用文献An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein.
Cell Rep, 40, 2022
4UNR
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BU of 4unr by Molmil
Mtb TMK in complex with compound 23
分子名称: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
分子名称: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-29
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNP
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BU of 4unp by Molmil
Mtb TMK in complex with compound 34
分子名称: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
分子名称: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
2V07
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BU of 2v07 by Molmil
Structure of the Arabidopsis thaliana cytochrome c6A V52Q variant
分子名称: CYTOCHROME C6, HEME C
著者Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J.
登録日2007-05-09
公開日2007-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Modulation of heme redox potential in the cytochrome c6 family.
J. Am. Chem. Soc., 129, 2007
2BVD
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BU of 2bvd by Molmil
HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A
分子名称: (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H
著者Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J.
登録日2005-06-27
公開日2005-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
2BV9
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BU of 2bv9 by Molmil
HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A
分子名称: ENDOGLUCANASE H
著者Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J.
登録日2005-06-23
公開日2005-06-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
6QA9
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BU of 6qa9 by Molmil
Isolated complex I class refinement from Ovine respiratory supercomplex I+III2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-19
公開日2019-08-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6QC8
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BU of 6qc8 by Molmil
Ovine respiratory complex I FRC open class 2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-27
公開日2019-08-21
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
8SCC
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BU of 8scc by Molmil
Crystal Structure of L-galactose 1-dehydrogenase de Myrciaria dubia
分子名称: L-galactose dehydrogenase
著者Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
登録日2023-04-05
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
6Q9B
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BU of 6q9b by Molmil
CI Membrane Arm focused refinement from Ovine respiratory SC I+III2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-17
公開日2019-08-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6Q9N
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BU of 6q9n by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
分子名称: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A.
登録日2018-12-18
公開日2019-11-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6QC7
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BU of 6qc7 by Molmil
Ovine respiratory complex I FRC open class 3
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-27
公開日2019-08-21
最終更新日2019-10-02
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
8SG0
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BU of 8sg0 by Molmil
Crystal Structure of GDP-manose 3,5 epimerase de Myrciaria dubia in complex with substrate, product and NAD
分子名称: GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ...
著者Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
登録日2023-04-11
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
6Q9E
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BU of 6q9e by Molmil
Complex III2 focused refinement from Ovine respiratory supercomplex I+III2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CARDIOLIPIN, Cytochrome b, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-18
公開日2019-08-21
最終更新日2019-10-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6Q70
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BU of 6q70 by Molmil
Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of HEPES
分子名称: Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ...
著者Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
登録日2018-12-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
6Q9D
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BU of 6q9d by Molmil
CI Peripheral Arm focused refinement from Ovine respiratory SC I+III2
分子名称: Acyl carrier protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-18
公開日2019-08-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6QBX
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BU of 6qbx by Molmil
Ovine respiratory supercomplex I+III2 closed class.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-24
公開日2019-08-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6QC4
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BU of 6qc4 by Molmil
Ovine respiratory supercomplex I+III2 open class 3
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein, Cytochrome b, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-26
公開日2019-08-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019

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