6VDA
 
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8SX0
 | | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain | | 分子名称: | CALCIUM ION, Filamentous hemagglutinin, GLYCEROL, ... | | 著者 | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Costello, M.S. | | 登録日 | 2023-05-19 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain
To Be Published
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7B3Z
 | | Crystal structure of c-MET bound by compound 5 | | 分子名称: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor | | 著者 | Collie, G.W. | | 登録日 | 2020-12-01 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B3V
 | | Crystal structure of c-MET bound by compound 3 | | 分子名称: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | | 著者 | Collie, G.W. | | 登録日 | 2020-12-01 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B44
 | | Crystal structure of c-MET bound by compound S1 | | 分子名称: | 5-methoxy-1~{H}-indazole, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor, ... | | 著者 | Collie, G.W. | | 登録日 | 2020-12-02 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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6VD8
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7B3T
 | | Crystal structure of c-MET bound by compound 2 | | 分子名称: | 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Hepatocyte growth factor receptor, ... | | 著者 | Collie, G.W. | | 登録日 | 2020-12-01 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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7B41
 | | Crystal structure of c-MET bound by compound 7 | | 分子名称: | 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor | | 著者 | Collie, G.W. | | 登録日 | 2020-12-02 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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8TTP
 | | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2023-08-14 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
to be published
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7QCU
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6YEN
 | | Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) | | 分子名称: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ... | | 著者 | Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2020-03-25 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.418 Å) | | 主引用文献 | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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8XF3
 | | Crystal structure of the reassembled C-phycocyanin octamer from Thermoleptolyngbya sp. O-77 | | 分子名称: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHOSPHATE ION, ... | | 著者 | Nguyen, H.K, Teramoto, T, Kakuta, Y, Yoon, K.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Disassembly and reassembly of the non-conventional thermophilic C-phycocyanin.
J.Biosci.Bioeng., 137, 2024
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8XF2
 | | Crystal structure of the reassembled C-phycocyanin hexamer from Thermoleptolyngbya sp. O-77 | | 分子名称: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHOSPHATE ION, ... | | 著者 | Nguyen, H.K, Teramoto, T, Kakuta, Y, Yoon, K.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Disassembly and reassembly of the non-conventional thermophilic C-phycocyanin.
J.Biosci.Bioeng., 137, 2024
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6Y4X
 | | Crystal structure of p38 in complex with SR72 | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-23 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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7OKT
 | | X-ray structure of soluble EPCR in C2221 space group | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endothelial protein C receptor, ... | | 著者 | Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J. | | 登録日 | 2021-05-18 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
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6Y4V
 | | Crystal structure of p38 in complex with SR68 | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-23 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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6Y6V
 | | p38a bound with MCP-81 | | 分子名称: | 5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-27 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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7PPH
 | | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 | | 分子名称: | GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Hillig, R.C. | | 登録日 | 2021-09-13 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
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9GI9
 | | Wildtype EGFR bound with (R)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | | 分子名称: | 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Epidermal growth factor receptor | | 著者 | Pagliarini, R.A, Henderson, J.A, Borrelli, D.R, Brooijmans, N, Hilbert, B.J, Huff, M.R, Ito, T, Kryukov, G.V, Ladd, B, Martin, B.R, Milgram, B.C, Motiwala, H, OHearn, E, Wang, W, Hata, A, Bellier, J, Kuzmic, P, Guzman-Perez, A, Jackson, E.L, Stuart, D.D. | | 登録日 | 2024-08-18 | | 公開日 | 2025-05-14 | | 最終更新日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
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8W6Z
 | | Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins | | 分子名称: | (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Fang, C, Zhang, L, Zhu, Y, Zhang, C. | | 登録日 | 2023-08-30 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Biosynthesis of Cihanmycins Reveal Cytochrome P450-Catalyzed Intramolecular C-O Phenol Coupling Reactions.
J.Am.Chem.Soc., 2024
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9DP0
 | | Fibrillar assembly of racemic, C-alpha methylated, macrocyclic beta-hairpins | | 分子名称: | CITRATE ANION, PENTAETHYLENE GLYCOL, racemic, ... | | 著者 | Samdin, T.D, Lubkowski, J, Anderson, C.F, Schneider, J.P. | | 登録日 | 2024-09-20 | | 公開日 | 2025-04-30 | | 最終更新日 | 2025-05-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | From Hydrogel to Crystal: A Molecular Design Strategy that Chemically Modifies Racemic Gel-Forming Peptides to Furnish Crystalline Fibrils Stabilized by Parallel Rippled beta-Sheets.
J.Am.Chem.Soc., 147, 2025
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9DOX
 | | Fibrillar assembly of an L-enantiopure, C-alpha methylated, macrocyclic beta-hairpin | | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, L-enantiopure, C-alpha methylated, ... | | 著者 | Samdin, T.D, Lubkowski, J, Anderson, C.F, Schneider, J.P. | | 登録日 | 2024-09-20 | | 公開日 | 2025-04-30 | | 最終更新日 | 2025-05-07 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | From Hydrogel to Crystal: A Molecular Design Strategy that Chemically Modifies Racemic Gel-Forming Peptides to Furnish Crystalline Fibrils Stabilized by Parallel Rippled beta-Sheets.
J.Am.Chem.Soc., 147, 2025
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8GM3
 | | Vibrio harveyi Holo HphA | | 分子名称: | HEME B/C, Hemophilin | | 著者 | Pan, C, Shah, M, Moraes, T.F. | | 登録日 | 2023-03-24 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.727 Å) | | 主引用文献 | Prevalence of Slam-dependent hemophilins in Gram-negative bacteria.
J.Bacteriol., 206, 2024
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6YPD
 | | Crystal structure of AmpC from E. coli with Cyclic Boronate 3 (CB3 / APC308) | | 分子名称: | (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Lang, P.A, Brem, J, Schofield, C.J. | | 登録日 | 2020-04-15 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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6Y4W
 | | Crystal structure of p38 in complex with SR69 | | 分子名称: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | 著者 | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-23 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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