6YUG
 
 | | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | | 著者 | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | | 登録日 | 2020-04-27 | | 公開日 | 2020-09-30 | | 最終更新日 | 2020-11-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development.
Mbio, 11, 2020
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8BWC
 | | E. coli BAM complex (BamABCDE) wild-type | | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | 著者 | Machin, J.M, Radford, S.E, Ranson, N.A. | | 登録日 | 2022-12-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5DR1
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5DR0
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5DR4
 | | Endothiapepsin in complex with fragment 231 | | 分子名称: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2015-09-15 | | 公開日 | 2016-09-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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6KXI
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6KZN
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6LBL
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3VPE
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 | | 分子名称: | ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ... | | 著者 | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | | 登録日 | 2012-02-29 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
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7O31
 | | Crystal structure of the anti-PAS Fab 1.2 in complex with its epitope peptide and the anti-Kappa VHH domain | | 分子名称: | 1,2-ETHANEDIOL, PAS#1 epitope peptide, anti-Kappa VHH domain, ... | | 著者 | Schilz, J, Schiefner, A, Skerra, A. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
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7O30
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3VQZ
 | | Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid | | 分子名称: | Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ... | | 著者 | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | | 登録日 | 2012-04-02 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
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7O2Z
 | | Crystal structure of the anti-PAS Fab 2.2 in complex with its epitope peptide | | 分子名称: | CHLORIDE ION, P/A#1 epitope peptide, anti-PAS Fab 2.2 chimeric heavy chain, ... | | 著者 | Schilz, J, Schiefner, A, Skerra, A. | | 登録日 | 2021-04-01 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
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4Y39
 | | Endothiapepsin in complex with fragment 75 | | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3F
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4Y50
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4Y4W
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4Y3M
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4Y41
 | | Endothiapepsin in complex with fragment 112 | | 分子名称: | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.403 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y4T
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4Y3Q
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4Y5L
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7O33
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4Y4Z
 | | Endothiapepsin in complex with fragment 73 | | 分子名称: | (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2015-02-11 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5LWS
 | | Endothiapepsin in complex with fragment 177 and a derivative thereof | | 分子名称: | 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, 4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-09-19 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
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