4Z20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z20 by Molmil](/molmil-images/mine/4z20) | |
2PYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pyu by Molmil](/molmil-images/mine/2pyu) | Structure of the E. coli inosine triphosphate pyrophosphatase RgdB in complex with IMP | 分子名称: | 1,2-ETHANEDIOL, INOSINIC ACID, Inosine Triphosphate Pyrophosphatase RdgB | 著者 | Singer, A.U, Proudfoot, M, Skarina, T, Savchenko, A, Yakunin, A.F. | 登録日 | 2007-05-16 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Molecular basis of the antimutagenic activity of the house-cleaning inosine triphosphate pyrophosphatase RdgB from Escherichia coli. J.Mol.Biol., 374, 2007
|
|
4Z41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z41 by Molmil](/molmil-images/mine/4z41) | X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II)) | 分子名称: | 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ... | 著者 | Merlino, A. | 登録日 | 2015-04-01 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding. Inorg.Chem., 54, 2015
|
|
2Q19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q19 by Molmil](/molmil-images/mine/2q19) | 2-keto-3-deoxy-D-arabinonate dehydratase apo form | 分子名称: | 2-keto-3-deoxy-D-arabinonate dehydratase | 著者 | Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | 登録日 | 2007-05-24 | 公開日 | 2008-04-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily. J.Mol.Biol., 379, 2008
|
|
6ML9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ml9 by Molmil](/molmil-images/mine/6ml9) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D30A mutant from Salmonella typhimurium complexed with arginine | 分子名称: | ACETATE ION, ARGININE, GLYCEROL, ... | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | 登録日 | 2018-09-27 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.687 Å) | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
|
|
6MKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mku by Molmil](/molmil-images/mine/6mku) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D11A mutant from Salmonella typhimurium complexed with arginine | 分子名称: | ACETATE ION, ARGININE, GLYCEROL, ... | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | 登録日 | 2018-09-26 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.727 Å) | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
|
|
6MLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mln by Molmil](/molmil-images/mine/6mln) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S72A mutant from Salmonella typhimurium complexed with arginine | 分子名称: | ACETATE ION, ARGININE, GLYCEROL, ... | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | 登録日 | 2018-09-27 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.721 Å) | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
|
|
4WMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wmf by Molmil](/molmil-images/mine/4wmf) | Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121 | 分子名称: | DI(HYDROXYETHYL)ETHER, MERS-CoV 3CL protease, TETRAETHYLENE GLYCOL | 著者 | Lountos, G.T, Needle, D, Waugh, D.S. | 登録日 | 2014-10-08 | 公開日 | 2015-05-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity. Acta Crystallogr.,Sect.D, 71, 2015
|
|
2PH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ph8 by Molmil](/molmil-images/mine/2ph8) | Crystal Structure of Human Beta Secretase Complexed with inhibitor | 分子名称: | Beta-secretase 1, N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE, SULFATE ION | 著者 | Munshi, S. | 登録日 | 2007-04-10 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
4Z0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z0b by Molmil](/molmil-images/mine/4z0b) | Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site | 分子名称: | PHOSPHATE ION, antibody heavy chain, antibody light chain | 著者 | He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S. | 登録日 | 2015-03-26 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding. J.Agric.Food Chem., 64, 2016
|
|
4ZEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zee by Molmil](/molmil-images/mine/4zee) | |
4ZEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zeq by Molmil](/molmil-images/mine/4zeq) | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247 | 分子名称: | BH3-interacting domain death agonist, Bcl-2-related protein A1 | 著者 | Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2015-04-20 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide To Be Published
|
|
4X49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x49 by Molmil](/molmil-images/mine/4x49) | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with oseltamivir carboxylate | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, ACETYL GROUP, Anhydrosialidase, ... | 著者 | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | 登録日 | 2014-12-02 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
|
|
2Q1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q1d by Molmil](/molmil-images/mine/2q1d) | 2-keto-3-deoxy-D-arabinonate dehydratase complexed with magnesium and 2,5-dioxopentanoate | 分子名称: | 2,5-DIOXOPENTANOIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, MAGNESIUM ION | 著者 | Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | 登録日 | 2007-05-24 | 公開日 | 2008-04-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily. J.Mol.Biol., 379, 2008
|
|
2PH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ph6 by Molmil](/molmil-images/mine/2ph6) | Crystal Structure of Human Beta Secretase Complexed with inhibitor | 分子名称: | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION | 著者 | Munshi, S. | 登録日 | 2007-04-10 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
4YW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yw1 by Molmil](/molmil-images/mine/4yw1) | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with 3'SL | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | 登録日 | 2015-03-20 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
|
|
4YW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yw3 by Molmil](/molmil-images/mine/4yw3) | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | 著者 | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | 登録日 | 2015-03-20 | 公開日 | 2015-09-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
|
|
4A4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a4v by Molmil](/molmil-images/mine/4a4v) | Ligand binding domain of human PPAR gamma in complex with amorfrutin 2 | 分子名称: | AMORFRUTIN 2, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | 著者 | de Groot, J.C, Weidner, C, Krausze, J, Kawamoto, K, Schroeder, F.C, Sauer, S, Buessow, K. | 登録日 | 2011-10-20 | 公開日 | 2012-10-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Characterization of Amorfrutins Bound to the Peroxisome Proliferator-Activated Receptor Gamma. J.Med.Chem., 56, 2013
|
|
4YY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yy5 by Molmil](/molmil-images/mine/4yy5) | |
2Q8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q8o by Molmil](/molmil-images/mine/2q8o) | |
6MLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mlp by Molmil](/molmil-images/mine/6mlp) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) Y14A mutant from Salmonella typhimurium complexed with histidine | 分子名称: | ACETATE ION, GLYCEROL, HISTIDINE, ... | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | 登録日 | 2018-09-27 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.485 Å) | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
|
|
3V1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v1h by Molmil](/molmil-images/mine/3v1h) | Structure of the H258Y mutant of Phosphatidylinositol-specific phospholipase C from Staphylococcus aureus | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION | 著者 | Goldstein, R.I, Cheng, J, Stec, B, Roberts, M.F. | 登録日 | 2011-12-09 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the S. aureus PI-Specific Phospholipase C Reveals Modulation of Active Site Access by a Titratable PI-Cation Latched Loop Biochemistry, 51, 2012
|
|
6MLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mla by Molmil](/molmil-images/mine/6mla) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D161A mutant from Salmonella typhimurium complexed with arginine | 分子名称: | ACETATE ION, ARGININE, GLYCEROL, ... | 著者 | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | 登録日 | 2018-09-27 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.582 Å) | 主引用文献 | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
|
|
2Q8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q8a by Molmil](/molmil-images/mine/2q8a) | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody | 分子名称: | 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1 | 著者 | Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H. | 登録日 | 2007-06-10 | 公開日 | 2007-10-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody. PLoS Pathog., 3, 2007
|
|
4Z3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z3m by Molmil](/molmil-images/mine/4z3m) | X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Complex with S,O Bidentate Ligands (9b) | 分子名称: | 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ... | 著者 | Merlino, A. | 登録日 | 2015-03-31 | 公開日 | 2015-09-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding. Inorg.Chem., 54, 2015
|
|