6GLA
 
 | | Crystal structure of JAK3 in complex with Compound 11 (FM481) | | 分子名称: | (~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile, 1,2-ETHANEDIOL, 1-phenylurea, ... | | 著者 | Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-05-23 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.
J. Med. Chem., 61, 2018
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9CS0
 | | E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP1 | | 分子名称: | Cyclic peptide CP1, Darobactin A, Outer membrane protein assembly factor BamA, ... | | 著者 | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | | 登録日 | 2024-07-23 | | 公開日 | 2025-04-16 | | 最終更新日 | 2025-04-23 | | 実験手法 | X-RAY DIFFRACTION (1.944 Å) | | 主引用文献 | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition.
Nat Commun, 16, 2025
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9CS1
 | | E. coli BamA beta-barrel bound to darobactin and cyclic peptide CP2 | | 分子名称: | Cyclic peptide CP2, Darobactin A, Outer membrane protein assembly factor BamA, ... | | 著者 | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | | 登録日 | 2024-07-23 | | 公開日 | 2025-04-16 | | 最終更新日 | 2025-04-23 | | 実験手法 | X-RAY DIFFRACTION (2.147 Å) | | 主引用文献 | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition.
Nat Commun, 16, 2025
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9CS2
 | | E. coli BamA beta-barrel bound to cyclic peptide CP3 | | 分子名称: | Cyclic peptide CP3, Outer membrane protein assembly factor BamA, tetrabutylphosphonium | | 著者 | Walker, M.E, Gu, M, Lu, J, Klein, D.J. | | 登録日 | 2024-07-23 | | 公開日 | 2025-04-16 | | 最終更新日 | 2025-04-23 | | 実験手法 | X-RAY DIFFRACTION (1.784 Å) | | 主引用文献 | Antibacterial macrocyclic peptides reveal a distinct mode of BamA inhibition.
Nat Commun, 16, 2025
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4Y79
 | | Factor Xa complex with GTC000406 | | 分子名称: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | | 著者 | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | 登録日 | 2015-02-13 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
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6QEL
 | | E. coli DnaBC apo complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ... | | 著者 | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | | 登録日 | 2019-01-08 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019
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3FK0
 | | E. coli EPSP synthase (TIPS mutation) liganded with S3P | | 分子名称: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | 著者 | Schonbrunn, E. | | 登録日 | 2008-12-15 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
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6QEM
 | | E. coli DnaBC complex bound to ssDNA | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA replication protein DnaC, MAGNESIUM ION, ... | | 著者 | Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M. | | 登録日 | 2019-01-08 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019
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3FJX
 | | E. coli EPSP synthase (T97I) liganded with S3P | | 分子名称: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE | | 著者 | Schonbrunn, E. | | 登録日 | 2008-12-15 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
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3FJZ
 | | E. coli EPSP synthase (T97I) liganded with S3P and glyphosate | | 分子名称: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... | | 著者 | Schonbrunn, E. | | 登録日 | 2008-12-15 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
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3FK1
 | | E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate | | 分子名称: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... | | 著者 | Schonbrunn, E. | | 登録日 | 2008-12-15 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
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8B8H
 | | Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS | | 分子名称: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ... | | 著者 | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | | 登録日 | 2022-10-04 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
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9FL3
 | | Crystal structure of IL-17A in complex with compound 26 | | 分子名称: | (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A | | 著者 | Rondeau, J.M, Lehmann, S, Scheufler, C. | | 登録日 | 2024-06-04 | | 公開日 | 2024-10-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.068 Å) | | 主引用文献 | Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 67, 2024
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8DBR
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8DBT
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8DBP
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8DBQ
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8DBV
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8DBU
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8DBS
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8DBW
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8F6C
 | | E. coli cytochrome bo3 ubiquinol oxidase dimer | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | | 著者 | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | | 登録日 | 2022-11-16 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | | 主引用文献 | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli.
Protein Sci., 32, 2023
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8F68
 | | E. coli cytochrome bo3 ubiquinol oxidase monomer | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ... | | 著者 | Guo, Y, Karimullina, E, Borek, D, Savchenko, A. | | 登録日 | 2022-11-16 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Monomer and dimer structures of cytochrome bo 3 ubiquinol oxidase from Escherichia coli.
Protein Sci., 32, 2023
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6RB1
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1 | | 分子名称: | (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | 著者 | Battistutta, R, Lolli, G. | | 登録日 | 2019-04-08 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
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6RCB
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