6RZG
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![BU of 6rzg by Molmil](/molmil-images/mine/6rzg) | Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | 分子名称: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-06-13 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.015 Å) | 主引用文献 | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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4GPX
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![BU of 4gpx by Molmil](/molmil-images/mine/4gpx) | Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P212121 form) | 分子名称: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | 著者 | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | 登録日 | 2012-08-22 | 公開日 | 2013-04-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites Chemmedchem, 8, 2013
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6T3C
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![BU of 6t3c by Molmil](/molmil-images/mine/6t3c) | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | 分子名称: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | 登録日 | 2019-10-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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6T9D
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![BU of 6t9d by Molmil](/molmil-images/mine/6t9d) | Crystal structure of a bispecific DutaFab in complex with human VEGF121 | 分子名称: | VP mat DutaFab VH chain, VP mat DutaFab VL chain, Vascular endothelial growth factor A | 著者 | Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H. | 登録日 | 2019-10-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.905 Å) | 主引用文献 | DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously. Nat Commun, 12, 2021
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6THM
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![BU of 6thm by Molmil](/molmil-images/mine/6thm) | Linalool Dehydratase Isomerase M125A mutant | 分子名称: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI, MALONATE ION | 著者 | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | 登録日 | 2019-11-20 | 公開日 | 2020-10-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms Acs Catalysis, 2020
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6S4G
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![BU of 6s4g by Molmil](/molmil-images/mine/6s4g) | Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PMP | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ruggieri, F, Campillo Brocal, J.C, Humble, M.S, Walse, B, Logan, D.T, Berglund, P. | 登録日 | 2019-06-27 | 公開日 | 2019-07-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase. Sci Rep, 9, 2019
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6SQ8
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![BU of 6sq8 by Molmil](/molmil-images/mine/6sq8) | Structure of amide bond synthetase McbA from Marinactinospora thermotolerans | 分子名称: | 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase | 著者 | Rowlinson, B, Petchey, M, Grogan, G. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Biocatalytic Synthesis of Moclobemide Using the Amide Bond Synthetase McbA Coupled with an ATP Recycling System. Acs Catalysis, 10, 2020
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4RQR
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![BU of 4rqr by Molmil](/molmil-images/mine/4rqr) | Crystal Structure of Human Glutaredoxin with MESNA | 分子名称: | 1-THIOETHANESULFONIC ACID, Glutaredoxin-1 | 著者 | Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L. | 登録日 | 2014-11-04 | 公開日 | 2015-04-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787. Molecules, 20, 2015
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6TF6
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![BU of 6tf6 by Molmil](/molmil-images/mine/6tf6) | Human galectin-3c in complex with a galactose derivative | 分子名称: | CHLORIDE ION, Galectin-3, ~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide | 著者 | Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T. | 登録日 | 2019-11-13 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3. Molecules, 24, 2019
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6T9H
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![BU of 6t9h by Molmil](/molmil-images/mine/6t9h) | |
4P43
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![BU of 4p43 by Molmil](/molmil-images/mine/4p43) | |
6T9E
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![BU of 6t9e by Molmil](/molmil-images/mine/6t9e) | Crystal structure of a bispecific DutaFab in complex with human PDGF | 分子名称: | DutaFab mat VH chain, DutaFab mat VL chain, Platelet-derived growth factor subunit B | 著者 | Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H. | 登録日 | 2019-10-28 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.989 Å) | 主引用文献 | DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously. Nat Commun, 12, 2021
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4IBN
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![BU of 4ibn by Molmil](/molmil-images/mine/4ibn) | Crystal structure of LC9-RNase H1, a type 1 RNase H with the type 2 active-site motif | 分子名称: | Ribonuclease H | 著者 | Nguyen, T.-N, You, D.-J, Kanaya, E, Koga, Y, Kanaya, S. | 登録日 | 2012-12-09 | 公開日 | 2013-03-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Crystal structure of metagenome-derived LC9-RNase H1 with atypical DEDN active site motif Febs Lett., 587, 2013
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6TFN
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![BU of 6tfn by Molmil](/molmil-images/mine/6tfn) | |
4GPW
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![BU of 4gpw by Molmil](/molmil-images/mine/4gpw) | Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P21212 form) | 分子名称: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | 著者 | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | 登録日 | 2012-08-22 | 公開日 | 2013-04-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites Chemmedchem, 8, 2013
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4GPY
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![BU of 4gpy by Molmil](/molmil-images/mine/4gpy) | Crystal structure of the bacterial ribosomal decoding site in complex with 6'-hydroxysisomicin | 分子名称: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | 著者 | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | 登録日 | 2012-08-22 | 公開日 | 2013-04-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites Chemmedchem, 8, 2013
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6T2W
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![BU of 6t2w by Molmil](/molmil-images/mine/6t2w) | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | 分子名称: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | 著者 | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | 登録日 | 2019-10-09 | 公開日 | 2020-01-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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4RQX
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![BU of 4rqx by Molmil](/molmil-images/mine/4rqx) | Crystal structure of human peroxiredoxin 4(THIOREDOXIN PEROXIDASE) with MESNA | 分子名称: | 1-THIOETHANESULFONIC ACID, Peroxiredoxin-4 | 著者 | Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L. | 登録日 | 2014-11-05 | 公開日 | 2015-04-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.256 Å) | 主引用文献 | Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787. Molecules, 20, 2015
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4RZP
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![BU of 4rzp by Molmil](/molmil-images/mine/4rzp) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR366. | 分子名称: | Engineered Protein OR366 | 著者 | Vorobiev, S, Parmeggiani, F, Dimaio, F, Seetharaman, J, Sahdev, S, Xiao, R, Kogan, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2014-12-23 | 公開日 | 2015-01-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Crystal Structure of Engineered Protein OR366 To be Published
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4TT9
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![BU of 4tt9 by Molmil](/molmil-images/mine/4tt9) | |
4P3U
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![BU of 4p3u by Molmil](/molmil-images/mine/4p3u) | |
4PJ2
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![BU of 4pj2 by Molmil](/molmil-images/mine/4pj2) | Crystal structure of Aeromonas hydrophila PliI in complex with Meretrix lusoria lysozyme | 分子名称: | GLYCEROL, Lysozyme, MAGNESIUM ION, ... | 著者 | Leysen, S, Van Herreweghe, J.M, Yoneda, K, Ogata, M, Usui, T, Michiels, C.W, Araki, T, Strelkov, S.V. | 登録日 | 2014-05-10 | 公開日 | 2015-02-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | The structure of the proteinaceous inhibitor PliI from Aeromonas hydrophila in complex with its target lysozyme. Acta Crystallogr.,Sect.D, 71, 2015
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4TNL
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![BU of 4tnl by Molmil](/molmil-images/mine/4tnl) | 1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL | 分子名称: | CALCIUM ION, Thermolysin, ZINC ION | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | 登録日 | 2014-06-04 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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4JP8
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![BU of 4jp8 by Molmil](/molmil-images/mine/4jp8) | Crystal structure of Pro-F17H/S324A | 分子名称: | CALCIUM ION, Tk-subtilisin | 著者 | Yuzaki, K, You, D.J, Uehara, R, Koga, Y, Kanaya, S. | 登録日 | 2013-03-19 | 公開日 | 2014-01-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Increase in activation rate of Pro-Tk-subtilisin by a single nonpolar-to-polar amino acid substitution at the hydrophobic core of the propeptide domain Protein Sci., 22, 2013
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5ZLE
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![BU of 5zle by Molmil](/molmil-images/mine/5zle) | Human duodenal cytochrome b (Dcytb) in substrate free form | 分子名称: | Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H. | 登録日 | 2018-03-27 | 公開日 | 2018-10-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate. Commun Biol, 1, 2018
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