6ZTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zta by Molmil](/molmil-images/mine/6zta) | X-ray structure of mutated arabinofuranosidase | 分子名称: | Alpha-L-arabinofuranosidase | 著者 | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | 登録日 | 2020-07-17 | 公開日 | 2021-02-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
|
|
4BQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bqy by Molmil](/molmil-images/mine/4bqy) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]alanine | 分子名称: | (2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid, EGL NINE HOMOLOG 1, FE (II) ION | 著者 | Chowdhury, R, McDonough, M.A, Yeoh, K.K, Schofield, C.J. | 登録日 | 2013-06-03 | 公開日 | 2013-06-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases. ACS Chem. Biol., 8, 2013
|
|
6EW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ew3 by Molmil](/molmil-images/mine/6ew3) | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | 登録日 | 2017-11-03 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
4BU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bu2 by Molmil](/molmil-images/mine/4bu2) | 60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG) | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ... | 著者 | Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J. | 登録日 | 2013-06-19 | 公開日 | 2014-05-14 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
|
|
7P55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p55 by Molmil](/molmil-images/mine/7p55) | |
7P5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5q by Molmil](/molmil-images/mine/7p5q) | |
7P5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5s by Molmil](/molmil-images/mine/7p5s) | |
7P5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p5g by Molmil](/molmil-images/mine/7p5g) | |
4C8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c8r by Molmil](/molmil-images/mine/4c8r) | Human gamma-butyrobetaine dioxygenase (BBOX1) in complex with Ni(II) and N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine (AR692B) | 分子名称: | 1,2-ETHANEDIOL, GAMMA-BUTYROBETAINE DIOXYGENASE, N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine, ... | 著者 | Chowdhury, R, Rydzik, A.M, Kochan, G.T, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-10-01 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Modulating carnitine levels by targeting its biosynthesis pathway - selective inhibition of gamma-butyrobetaine hydroxylase. Chem Sci, 5, 2014
|
|
6S0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s0p by Molmil](/molmil-images/mine/6s0p) | |
6SBP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sbp by Molmil](/molmil-images/mine/6sbp) | |
6S7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s7e by Molmil](/molmil-images/mine/6s7e) | Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants) | 分子名称: | FE (III) ION, Plant cysteine oxidase 4 | 著者 | White, M.D, Levy, C.W, Flashman, E, McDonough, M.A. | 登録日 | 2019-07-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
4BGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bgf by Molmil](/molmil-images/mine/4bgf) | The 3D-structure of arylamine-N-acetyltransferase from M. tuberculosis | 分子名称: | ARYLAMINE N-ACETYLTRANSFERASE NAT | 著者 | Abuhammad, A, Lowe, E.D, McDonough, M.A, Shaw Stewart, P.D, Kolek, S.A, Sim, E, Garman, E.F. | 登録日 | 2013-03-26 | 公開日 | 2013-07-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.097 Å) | 主引用文献 | Structure of arylamine N-acetyltransferase from Mycobacterium tuberculosis determined by cross-seeding with the homologous protein from M. marinum: triumph over adversity. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|
6EUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eum by Molmil](/molmil-images/mine/6eum) | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | 分子名称: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | 登録日 | 2017-10-30 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
6EWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ewe by Molmil](/molmil-images/mine/6ewe) | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | 分子名称: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | 登録日 | 2017-11-03 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
5YGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ygy by Molmil](/molmil-images/mine/5ygy) | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | 著者 | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | 登録日 | 2017-09-27 | 公開日 | 2018-05-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain J. Med. Chem., 61, 2018
|
|
6Y6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y6j by Molmil](/molmil-images/mine/6y6j) | VIM-2 in Complex with Biapenem Imine and Enamine Hydrolysis Products | 分子名称: | Biapenem Enamine hydrolysis product, Biapenem Imine hydrolysis product, CHLORIDE ION, ... | 著者 | Lucic, A, Schofield, C.J, Brem, J, McDonough, M.A. | 登録日 | 2020-02-26 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure of metallo-beta-lactamase VIM-2 in complex with the imine and enamine form of hydrolysed Biapenem To Be Published
|
|
7NRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nrp by Molmil](/molmil-images/mine/7nrp) | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG | 分子名称: | CACODYLATE ION, DNA (5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | 著者 | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | 登録日 | 2021-03-04 | 公開日 | 2022-06-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides. Nat Commun, 13, 2022
|
|
5W0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w0a by Molmil](/molmil-images/mine/5w0a) | Crystal structure of Trichoderma harzianum endoglucanase I | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucanase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Godoy, A.S, Pellegrini, V.O.A, Sonoda, M.T, Kadowaki, M.A, Nascimento, A.S, Polikarpov, I. | 登録日 | 2017-05-30 | 公開日 | 2018-05-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.898 Å) | 主引用文献 | Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides. Biochim Biophys Acta Gen Subj, 1863, 2019
|
|
4C1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c1e by Molmil](/molmil-images/mine/4c1e) | Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
|
|
7OOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ooo by Molmil](/molmil-images/mine/7ooo) | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG containing an LNA-Amide-LNA modification | 分子名称: | DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | 著者 | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | 登録日 | 2021-05-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides. Nat Commun, 13, 2022
|
|
7OOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oos by Molmil](/molmil-images/mine/7oos) | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG | 分子名称: | DNA (5'-D(*CP*TP*(05K)P*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'), STRONTIUM ION | 著者 | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | 登録日 | 2021-05-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides. Nat Commun, 13, 2022
|
|
7OZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ozz by Molmil](/molmil-images/mine/7ozz) | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG with LNA-amide modification | 分子名称: | DNA (5'-D(*CP*TP*(05H)P*TP*CP*TP*TP*TP*G)-3'), POTASSIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | 著者 | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | 登録日 | 2021-06-29 | 公開日 | 2022-08-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides. Nat Commun, 13, 2022
|
|
6RUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ruj by Molmil](/molmil-images/mine/6ruj) | |
4C1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c1d by Molmil](/molmil-images/mine/4c1d) | Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril | 分子名称: | BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.198 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
|
|