6P8K
 
 | | Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX | | 分子名称: | Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ... | | 著者 | Taylor, A.B, Cioloboc, D, Kurtz, D.M. | | 登録日 | 2019-06-07 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction.
Biochemistry, 59, 2020
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8FX5
 | | Human M4 muscarinic acetylcholine receptor complex with Gi1 and xanomeline | | 分子名称: | Antibody fragment scFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Vuckovic, Z, Mobbs, J.I, Glukhova, A, Sexton, P.M, Danev, R, Thal, D.M. | | 登録日 | 2023-01-23 | | 公開日 | 2023-09-13 | | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | | 主引用文献 | Xanomeline displays concomitant orthosteric and allosteric binding modes at the M 4 mAChR.
Nat Commun, 14, 2023
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8FL8
 | | Yeast ATP Synthase structure in presence of MgATP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase protein 8, ... | | 著者 | Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M. | | 登録日 | 2022-12-21 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
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8FKJ
 | | Yeast ATP Synthase in conformation-3, at pH 6 | | 分子名称: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | | 著者 | Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M. | | 登録日 | 2022-12-21 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
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8H3B
 | | Crystal structure of antibody scFv against M2e Influenza peptide | | 分子名称: | GLYCEROL, Single Chain Variable Fragment | | 著者 | Kumar, U, Madni, Z.K, Gaur, V, Salunke, D.M. | | 登録日 | 2022-10-08 | | 公開日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | A structure and knowledge-based combinatorial approach to engineering universal scFv antibodies against influenza M2 protein.
J.Biomed.Sci., 30, 2023
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8H3C
 | | Crystal structure of M2e Influenza peptide in complex with antibody scFv | | 分子名称: | Matrix protein 2, Single Chain Variable Fragment | | 著者 | Kumar, U, Madni, Z.K, Gaur, V, Salunke, D.M. | | 登録日 | 2022-10-08 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.43 Å) | | 主引用文献 | A structure and knowledge-based combinatorial approach to engineering universal scFv antibodies against influenza M2 protein.
J.Biomed.Sci., 30, 2023
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8GHB
 | | The structure of h12-LOX in monomeric form | | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12 | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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8GHE
 | | The structure of h12-LOX in tetrameric form bound to endogenous inhibitor oleoyl-CoA | | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.05 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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8GHD
 | | The structure of h12-LOX in hexameric form bound to inhibitor ML355 and arachidonic acid | | 分子名称: | ARACHIDONIC ACID, FE (II) ION, N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide, ... | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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8GHC
 | | The structure of h12-LOX in dimeric form | | 分子名称: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12 | | 著者 | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | 登録日 | 2023-03-09 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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7P2N
 | | E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | 著者 | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
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7P2W
 | | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | | 著者 | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2M
 | | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | 著者 | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2X
 | | E.coli GyrB24 with inhibitor KOB20 (EBL2583) | | 分子名称: | (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | 著者 | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | E.coli GyrB24 with inhibitor KOB20 (EBL2583)
TO BE PUBLISHED
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7P9M
 | | BrxU, GmrSD-family Type IV restriction enzyme | | 分子名称: | CHLORIDE ION, DUF262 domain-containing protein, SULFATE ION | | 著者 | Picton, D.M, Luyten, Y, Morgan, R.D, Nelson, A, Smith, D.L, Dryden, D.T.F, Hinton, J.C.D, Blower, T.R. | | 登録日 | 2021-07-27 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | The phage defence island of a multidrug resistant plasmid uses both BREX and type IV restriction for complementary protection from viruses.
Nucleic Acids Res., 49, 2021
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7P9K
 | | BrxU, GmrSD-family Type IV restriction enzyme | | 分子名称: | CHLORIDE ION, DUF262 domain-containing protein, GLYCEROL, ... | | 著者 | Picton, D.M, Luyten, Y, Morgan, R.D, Nelson, A, Smith, D.L, Dryden, D.T.F, Hinton, J.C.D, Blower, T.R. | | 登録日 | 2021-07-27 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | The phage defence island of a multidrug resistant plasmid uses both BREX and type IV restriction for complementary protection from viruses.
Nucleic Acids Res., 49, 2021
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8H73
 | | Crystal structure of antibody scFv against M2e Influenza peptide | | 分子名称: | CITRATE ANION, Single Chain Variable Fragment | | 著者 | Kumar, U, Madni, Z.K, Gaur, V, Salunke, D.M. | | 登録日 | 2022-10-18 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | A structure and knowledge-based combinatorial approach to engineering universal scFv antibodies against influenza M2 protein.
J.Biomed.Sci., 30, 2023
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7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | 分子名称: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | 著者 | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | 登録日 | 2021-09-17 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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8IA6
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1W2Z
 | | PSAO and Xenon | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMINE OXIDASE, COPPER CONTAINING, ... | | 著者 | Duff, A.P, Trambaiolo, D.M, Cohen, A.E, Ellis, P.J, Juda, G.A, Shepard, E.M, Langley, D.B, Dooley, D.M, Freeman, H.C, Guss, J.M. | | 登録日 | 2004-07-11 | | 公開日 | 2004-11-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Using Xenon as a Probe for Dioxygen-Binding Sites in Copper Amine Oxidases.
J.Mol.Biol., 344, 2004
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1W5Z
 | | AGAO covalent complex with Benzylhydrazine | | 分子名称: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | 著者 | Duff, A.P, Trambaiolo, D.M, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M. | | 登録日 | 2004-08-11 | | 公開日 | 2005-12-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Complexes of the Copper-Containing Amine Oxidase from Arthrobacter Globiformis with the Inhibitors Benzylhydrazine and Tranylcypromine.
Acta Crystallogr.,Sect.F, 64, 2008
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1W4N
 | | AGAO covalent complex with Tranylcypromine | | 分子名称: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | 著者 | Duff, A.P, Trambaiolo, D.M, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M. | | 登録日 | 2004-07-27 | | 公開日 | 2005-12-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Complexes of the Copper-Containing Amine Oxidase from Arthrobacter Globiformis with the Inhibitors Benzylhydrazine and Tranylcypromine.
Acta Crystallogr.,Sect.F, 64, 2008
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1M7Q
 | | Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | | 分子名称: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | | 著者 | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | | 登録日 | 2002-07-22 | | 公開日 | 2002-12-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
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2R9M
 | | Cathepsin S complexed with Compound 15 | | 分子名称: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | 著者 | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | 登録日 | 2007-09-13 | | 公開日 | 2007-12-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
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2R9O
 | | Cathepsin S complexed with Compound 8 | | 分子名称: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | 著者 | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | 登録日 | 2007-09-13 | | 公開日 | 2007-12-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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