4FSF
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![BU of 4fsf by Molmil](/molmil-images/mine/4fsf) | Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14 | 分子名称: | (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3 | 著者 | Han, S. | 登録日 | 2012-06-27 | 公開日 | 2012-10-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections. Bioorg.Med.Chem.Lett., 22, 2012
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4HCU
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![BU of 4hcu by Molmil](/molmil-images/mine/4hcu) | Crystal structure of ITK in complext with compound 40 | 分子名称: | 3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK | 著者 | Han, S, Caspers, N. | 登録日 | 2012-10-01 | 公開日 | 2012-11-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
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4IO9
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![BU of 4io9 by Molmil](/molmil-images/mine/4io9) | Crystal structure of compound 4d bound to large ribosomal subunit (50S) from Deinococcus radiodurans | 分子名称: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | 著者 | Han, S, Marr, E.S. | 登録日 | 2013-01-07 | 公開日 | 2013-03-06 | 最終更新日 | 2013-03-20 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates. Bioorg.Med.Chem.Lett., 23, 2013
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4HCV
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![BU of 4hcv by Molmil](/molmil-images/mine/4hcv) | Crystal structure of ITK in complex with compound 53 | 分子名称: | 3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK | 著者 | Han, S, Caspers, N. | 登録日 | 2012-10-01 | 公開日 | 2012-11-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
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4IOA
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![BU of 4ioa by Molmil](/molmil-images/mine/4ioa) | Crystal structure of compound 4e bound to large ribosomal subunit (50S) from Deinococcus radiodurans | 分子名称: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1H-pyrrole-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | 著者 | Han, S, Marr, E.S. | 登録日 | 2013-01-07 | 公開日 | 2013-03-06 | 最終更新日 | 2013-03-20 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates. Bioorg.Med.Chem.Lett., 23, 2013
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4IOC
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![BU of 4ioc by Molmil](/molmil-images/mine/4ioc) | Crystal structure of compound 4f bound to large ribosomal subunit (50S) from Deinococcus radiodurans | 分子名称: | (3aS,4R,7R,8S,9S,10R,11R,13R,15S,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | 著者 | Han, S, Marr, E.S. | 登録日 | 2013-01-07 | 公開日 | 2013-03-06 | 最終更新日 | 2013-03-20 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates. Bioorg.Med.Chem.Lett., 23, 2013
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3ET7
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![BU of 3et7 by Molmil](/molmil-images/mine/3et7) | Crystal structure of PYK2 complexed with PF-2318841 | 分子名称: | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one, PHOSPHATE ION, Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2008-10-07 | 公開日 | 2009-06-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation. Bioorg.Med.Chem.Lett., 18, 2008
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4HEE
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![BU of 4hee by Molmil](/molmil-images/mine/4hee) | Crystal structure of PPARgamma in complex with compound 13 | 分子名称: | 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | 著者 | Han, S. | 登録日 | 2012-10-03 | 公開日 | 2013-08-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma Bioorg.Med.Chem.Lett., 23, 2013
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3H3C
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![BU of 3h3c by Molmil](/molmil-images/mine/3h3c) | |
4L0L
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![BU of 4l0l by Molmil](/molmil-images/mine/4l0l) | Crystal structure of P.aeruginosa PBP3 in complex with compound 4 | 分子名称: | (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3 | 著者 | Han, S, Marr, E.S. | 登録日 | 2013-05-31 | 公開日 | 2013-08-21 | 最終更新日 | 2014-01-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Pyridone-conjugated monobactam antibiotics with gram-negative activity. J.Med.Chem., 56, 2013
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4OON
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![BU of 4oon by Molmil](/molmil-images/mine/4oon) | Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid) | 分子名称: | (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A | 著者 | Han, S, Caspers, N, Knafels, J.D. | 登録日 | 2014-02-03 | 公開日 | 2014-05-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria. J.Med.Chem., 57, 2014
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1FN0
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![BU of 1fn0 by Molmil](/molmil-images/mine/1fn0) | STRUCTURE OF A MUTANT WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN, N14D. | 分子名称: | CHYMOTRYPSIN INHIBITOR 3, SULFATE ION | 著者 | Dattagupta, J.K, Chakrabarti, C, Ravichandran, S, Dasgupta, J, Ghosh, S. | 登録日 | 2000-08-19 | 公開日 | 2001-02-19 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp. PROTEIN ENG., 14, 2001
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1FMZ
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![BU of 1fmz by Molmil](/molmil-images/mine/1fmz) | CRYSTAL STRUCTURE OF A MUTANT WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN, N14K. | 分子名称: | CHYMOTRYPSIN INHIBITOR 3, SULFATE ION | 著者 | Dattagupta, J.K, Chakrabarti, C, Ravichandran, S, Dasgupta, J, Ghosh, S. | 登録日 | 2000-08-19 | 公開日 | 2001-02-19 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp. PROTEIN ENG., 14, 2001
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5CHL
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![BU of 5chl by Molmil](/molmil-images/mine/5chl) | Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex | 分子名称: | Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog | 著者 | Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z. | 登録日 | 2015-07-10 | 公開日 | 2016-03-09 | 最終更新日 | 2017-09-27 | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | 主引用文献 | Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1 Nat.Struct.Mol.Biol., 23, 2016
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3U2H
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![BU of 3u2h by Molmil](/molmil-images/mine/3u2h) | Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein | 分子名称: | GLYCEROL, S-layer protein MA0829 | 著者 | Chan, S, Phan, T, Ahn, C.J, Shin, A, Rohlin, L, Gunsalus, R.P, Arbing, M.A. | 登録日 | 2011-10-03 | 公開日 | 2012-07-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans. Proc.Natl.Acad.Sci.USA, 109, 2012
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3U2G
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![BU of 3u2g by Molmil](/molmil-images/mine/3u2g) | Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein | 分子名称: | AMMONIUM ION, CITRIC ACID, GLYCEROL, ... | 著者 | Chan, S, Phan, T, Ahn, C.J, Shin, A, Rohlin, L, Gunsalus, R.P, Arbing, M.A. | 登録日 | 2011-10-03 | 公開日 | 2012-07-04 | 最終更新日 | 2012-08-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans. Proc.Natl.Acad.Sci.USA, 109, 2012
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8Q52
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![BU of 8q52 by Molmil](/molmil-images/mine/8q52) | A PBP-like protein built from fragments of different folds | 分子名称: | Leucine-specific-binding protein,Chemotaxis protein CheY, SULFATE ION | 著者 | Shanmugaratnam, S, Toledo-Patino, S, Goetz, S.K, Farias-Rico, J.A, Hocker, B. | 登録日 | 2023-08-08 | 公開日 | 2024-04-10 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Molecular handcraft of a well-folded protein chimera. Febs Lett., 598, 2024
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6QWM
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![BU of 6qwm by Molmil](/molmil-images/mine/6qwm) | The Transcriptional Regulator PrfA-A218G mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | 分子名称: | DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A | 著者 | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | 登録日 | 2019-03-05 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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6QW1
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![BU of 6qw1 by Molmil](/molmil-images/mine/6qw1) | The Transcriptional Regulator PrfA-L140F mutant from Listeria Monocytogenes | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION | 著者 | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | 登録日 | 2019-03-05 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | 主引用文献 | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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7QSQ
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![BU of 7qsq by Molmil](/molmil-images/mine/7qsq) | Permutated N-terminal lobe of the ribose binding protein from Thermotoga maritima | 分子名称: | 1,2-ETHANEDIOL, Ribose ABC transporter, periplasmic ribose-binding protein, ... | 著者 | Shanmugaratnam, S, Michel, F, Hocker, B. | 登録日 | 2022-01-14 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structures of permuted halves of a modern ribose-binding protein. Acta Crystallogr D Struct Biol, 79, 2023
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7QSP
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![BU of 7qsp by Molmil](/molmil-images/mine/7qsp) | Permutated C-terminal lobe of the ribose binding protein from Thermotoga maritima | 分子名称: | 1,2-ETHANEDIOL, Ribose ABC transporter, periplasmic ribose-binding protein | 著者 | Shanmugaratnam, S, Michel, F, Hocker, B. | 登録日 | 2022-01-14 | 公開日 | 2023-01-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Structures of permuted halves of a modern ribose-binding protein. Acta Crystallogr D Struct Biol, 79, 2023
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6YED
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![BU of 6yed by Molmil](/molmil-images/mine/6yed) | E.coli's Putrescine receptor PotF in its open apo state | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Shanmugaratnam, S, Kroeger, P, Hocker, B. | 登録日 | 2020-03-24 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YE8
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![BU of 6ye8 by Molmil](/molmil-images/mine/6ye8) | E.coli's Putrescine receptor PotF complexed with Spermidine | 分子名称: | (2R)-1-methoxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, CHLORIDE ION, ... | 著者 | Shanmugaratnam, S, Kroeger, P, Hocker, B. | 登録日 | 2020-03-24 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YE6
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![BU of 6ye6 by Molmil](/molmil-images/mine/6ye6) | E.coli's Putrescine receptor PotF complexed with Agmatine | 分子名称: | (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... | 著者 | Shanmugaratnam, S, Kroeger, P, Hocker, B. | 登録日 | 2020-03-24 | 公開日 | 2021-01-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6YEB
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![BU of 6yeb by Molmil](/molmil-images/mine/6yeb) | E.coli's Putrescine receptor PotF in its closed apo state | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Shanmugaratnam, S, Kroeger, P, Hocker, B. | 登録日 | 2020-03-24 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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