4C4O
 
 | | Structure of carbonyl reductase CPCR2 from Candida parapsilosis in complex with NADH | | 分子名称: | 1,2-ETHANEDIOL, CARBONYL REDUCTASE CPCR2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Man, H, Loderer, C, Ansorge-Schumacher, M, Grogan, G. | | 登録日 | 2013-09-06 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure of Nadh-Dependent Carbonyl Reductase (Cpcr2) from Candida Parapsilosis Provides Insight Into Mutations that Improve Catalytic Properties
Chemcatchem, 6, 2014
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4D3F
 | | BcSIRED from Bacillus cereus in complex with NADPH | | 分子名称: | IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | | 登録日 | 2014-10-21 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
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4D3D
 | | Structure of Imine Reductase BcSIRED from Bacillus cereus BAG3X2 | | 分子名称: | IMINE REDUCTASE, MAGNESIUM ION, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL | | 著者 | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | | 登録日 | 2014-10-21 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
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108D
 | | THE SOLUTION STRUCTURE OF A DNA COMPLEX WITH THE FLUORESCENT BIS INTERCALATOR TOTO DETERMINED BY NMR SPECTROSCOPY | | 分子名称: | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM, DNA (5'-D(*CP*GP*CP*TP*AP*GP*CP*G)-3') | | 著者 | Spielmann, H.P, Wemmer, D.E, Jacobsen, J.P. | | 登録日 | 1995-01-31 | | 公開日 | 1995-06-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a DNA complex with the fluorescent bis-intercalator TOTO determined by NMR spectroscopy.
Biochemistry, 34, 1995
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1A0P
 | | SITE-SPECIFIC RECOMBINASE, XERD | | 分子名称: | SITE-SPECIFIC RECOMBINASE XERD | | 著者 | Subramanya, H.S, Arciszewska, L.K, Baker, R.A, Bird, L.E, Sherratt, D.J, Wigley, D.B. | | 登録日 | 1997-12-05 | | 公開日 | 1998-03-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of the site-specific recombinase, XerD.
EMBO J., 16, 1997
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1A0I
 | | ATP-DEPENDENT DNA LIGASE FROM BACTERIOPHAGE T7 COMPLEX WITH ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA LIGASE | | 著者 | Subramanya, H.S, Doherty, A.J, Ashford, S.R, Wigley, D.B. | | 登録日 | 1997-12-01 | | 公開日 | 1998-03-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of an ATP-dependent DNA ligase from bacteriophage T7.
Cell(Cambridge,Mass.), 85, 1996
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7BMK
 | | ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs | | 分子名称: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J. | | 登録日 | 2021-01-20 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR.
Nat.Chem.Biol., 17, 2021
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3PCQ
 | | Femtosecond X-ray protein Nanocrystallography | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H. | | 登録日 | 2010-10-21 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (8.984 Å) | | 主引用文献 | Femtosecond X-ray protein nanocrystallography.
Nature, 470, 2011
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7API
 | | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ... | | 著者 | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | | 登録日 | 1988-09-08 | | 公開日 | 1990-10-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
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1ZRE
 | | 4 crystal structures of CAP-DNA with all base-pair substitutions at position 6, CAP-[6G;17C]ICAP38 DNA | | 分子名称: | 5'-D(*AP*TP*TP*TP*CP*GP*AP*AP*AP*AP*AP*TP*GP*GP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*CP*CP*AP*TP*TP*TP*TP*TP*CP*GP*AP*AP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | | 著者 | Berman, H.M, Napoli, A.A. | | 登録日 | 2005-05-19 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Indirect readout of DNA sequence at the primary-kink site in the CAP-DNA complex: recognition of pyrimidine-purine and purine-purine steps.
J.Mol.Biol., 357, 2006
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1ZRC
 | | 4 Crystal structures of CAP-DNA with all base-pair substitutions at position 6, CAP-ICAP38 DNA | | 分子名称: | 5'-D(*AP*TP*TP*TP*CP*GP*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*TP*CP*GP*AP*AP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | | 著者 | Berman, H.M, Napoli, A.A. | | 登録日 | 2005-05-19 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Indirect readout of DNA sequence at the primary-kink site in the CAP-DNA complex: recognition of pyrimidine-purine and purine-purine steps.
J.Mol.Biol., 357, 2006
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1ZRF
 | | 4 crystal structures of CAP-DNA with all base-pair substitutions at position 6, CAP-[6C;17G]ICAP38 DNA | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 5'-D(*AP*TP*TP*TP*CP*GP*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*TP*CP*GP*AP*AP*AP*T)-3', ... | | 著者 | Berman, H.M, Napoli, A.A. | | 登録日 | 2005-05-19 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Indirect readout of DNA sequence at the primary-kink site in the CAP-DNA complex: recognition of pyrimidine-purine and purine-purine steps.
J.Mol.Biol., 357, 2006
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1ZRD
 | | 4 crystal structures of CAP-DNA with all base-pair substitutions at position 6, CAP-[6A;17T]ICAP38 DNA | | 分子名称: | 5'-D(*AP*TP*TP*TP*CP*GP*AP*AP*AP*AP*AP*TP*GP*AP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*TP*CP*AP*TP*TP*TP*TP*TP*CP*GP*AP*AP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | | 著者 | Berman, H.M, Napoli, A.A. | | 登録日 | 2005-05-19 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Indirect readout of DNA sequence at the primary-kink site in the CAP-DNA complex: recognition of pyrimidine-purine and purine-purine steps.
J.Mol.Biol., 357, 2006
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1XD2
 | | Crystal Structure of a ternary Ras:SOS:Ras*GDP complex | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | | 登録日 | 2004-09-03 | | 公開日 | 2004-11-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
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6Y6U
 | | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6 | | 分子名称: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Newman, H, Bellini, D, Dowson, C.G. | | 登録日 | 2020-02-27 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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7AU1
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) | | 分子名称: | 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Newman, H, Bellini, B, Dowson, C.G. | | 登録日 | 2020-11-02 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
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6Y6Z
 | | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | | 分子名称: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate | | 著者 | Newman, H, Bellini, D, Dowson, C.G. | | 登録日 | 2020-02-27 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.
Chem Sci, 11, 2020
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1XD4
 | | Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) | | 分子名称: | Son of sevenless protein homolog 1 | | 著者 | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | | 登録日 | 2004-09-03 | | 公開日 | 2004-11-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.64 Å) | | 主引用文献 | Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
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5I69
 | | MBP-MamC magnetite-interaction component mutant-D70A | | 分子名称: | Maltose-binding periplasmic protein,Tightly bound bacterial magnetic particle protein,Maltose-binding periplasmic protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Nudelman, H, Tercedor, C.V, Kolusheva, S, Gonzalez, T.P, Widdrat, M, Grimberg, N, Levi, H, Nelkenbaum, O, Davidove, G, Faivre, D, Jimenez-Lopez, C, Zarivach, R. | | 登録日 | 2016-02-16 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-function studies of the magnetite-biomineralizing magnetosome-associated protein MamC.
J.Struct.Biol., 194, 2016
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7ATM
 | | Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1) | | 分子名称: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Newman, H, Bellini, B, Dowson, C.G. | | 登録日 | 2020-10-30 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.582 Å) | | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
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7ATO
 | | Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2) | | 分子名称: | (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Newman, H, Bellini, B, Dowson, C.G. | | 登録日 | 2020-10-30 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
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7AU0
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7) | | 分子名称: | Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | | 著者 | Newman, H, Bellini, B, Dowson, C.G. | | 登録日 | 2020-11-02 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
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7ATX
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) | | 分子名称: | 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Newman, H, Bellini, B, Dowson, C.G. | | 登録日 | 2020-11-01 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
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7AU8
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) | | 分子名称: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Newman, H, Bellini, B, Dowson, C.G. | | 登録日 | 2020-11-02 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
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7AU9
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) | | 分子名称: | GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Newman, H, Bellini, B, Dowson, C.G. | | 登録日 | 2020-11-02 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.137 Å) | | 主引用文献 | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
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