7AMS
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![BU of 7ams by Molmil](/molmil-images/mine/7ams) | Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2 | 分子名称: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | 著者 | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | 登録日 | 2020-10-09 | 公開日 | 2022-04-20 | 最終更新日 | 2022-04-27 | 実験手法 | X-RAY DIFFRACTION (2.419 Å) | 主引用文献 | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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7AMR
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![BU of 7amr by Molmil](/molmil-images/mine/7amr) | Crystal structure of the complex of the KFN mutant of Jovi-1 Fab with human TRBC1 | 分子名称: | CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ... | 著者 | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | 登録日 | 2020-10-09 | 公開日 | 2022-04-20 | 最終更新日 | 2022-04-27 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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6I07
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![BU of 6i07 by Molmil](/molmil-images/mine/6i07) | Crystal structure of EpCAM in complex with scFv | 分子名称: | Epithelial cell adhesion molecule, GLYCEROL, Single chain Fv | 著者 | Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G. | 登録日 | 2018-10-25 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM. Proc.Natl.Acad.Sci.USA, 116, 2019
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6I6O
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![BU of 6i6o by Molmil](/molmil-images/mine/6i6o) | Circular permutant of ribosomal protein S6, swap helix 2, L75A mutant | 分子名称: | 30S ribosomal protein S6,30S ribosomal protein S6 | 著者 | Wang, H, Logan, D.T, Oliveberg, M. | 登録日 | 2018-11-15 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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6I6Y
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![BU of 6i6y by Molmil](/molmil-images/mine/6i6y) | |
6I77
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![BU of 6i77 by Molmil](/molmil-images/mine/6i77) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4 | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2018-11-15 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.219 Å) | 主引用文献 | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6I6U
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![BU of 6i6u by Molmil](/molmil-images/mine/6i6u) | Circular permutant of ribosomal protein S6, adding 9aa to N terminal of P81-82, L75A mutant | 分子名称: | 30S ribosomal protein S6,30S ribosomal protein S6 | 著者 | Wang, H, Logan, D.T, Oliveberg, M. | 登録日 | 2018-11-15 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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6I6W
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![BU of 6i6w by Molmil](/molmil-images/mine/6i6w) | |
6I78
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![BU of 6i78 by Molmil](/molmil-images/mine/6i78) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 5 | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2018-11-15 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6IC7
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![BU of 6ic7 by Molmil](/molmil-images/mine/6ic7) | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 | 分子名称: | 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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6I6S
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![BU of 6i6s by Molmil](/molmil-images/mine/6i6s) | Circular permutant of ribosomal protein S6, adding 9aa to C terminal of P68-69, L75A mutant | 分子名称: | 30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6, POTASSIUM ION, SODIUM ION | 著者 | Wang, H, Logan, D.T, Oliveberg, M. | 登録日 | 2018-11-15 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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6I6E
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![BU of 6i6e by Molmil](/molmil-images/mine/6i6e) | |
6I76
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![BU of 6i76 by Molmil](/molmil-images/mine/6i76) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-3 | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2018-11-15 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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7ZQX
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![BU of 7zqx by Molmil](/molmil-images/mine/7zqx) | Human galectin-3c in complex with a galactose derivative | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, GLYCEROL, ... | 著者 | Zetterberg, F, Nilsson, U.J, Hakansson, M, Logan, D.T. | 登録日 | 2022-05-03 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease. J.Med.Chem., 65, 2022
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6I04
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![BU of 6i04 by Molmil](/molmil-images/mine/6i04) | Crystal structure of Sema domain of the Met receptor in complex with FAB | 分子名称: | Fab heavy chain, Fab light chain, Hepatocyte growth factor receptor | 著者 | Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G. | 登録日 | 2018-10-25 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HF2
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![BU of 6hf2 by Molmil](/molmil-images/mine/6hf2) | The structure of BoMan26B, a GH26 beta-mannanase from Bacteroides ovatus | 分子名称: | CALCIUM ION, CHLORIDE ION, Glycosyl hydrolase family 26 | 著者 | Bagenholm, V, Logan, D.T, Stalbrand, H. | 登録日 | 2018-08-21 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | A surface-exposed GH26 beta-mannanase fromBacteroides ovatus: Structure, role, and phylogenetic analysis ofBoMan26B. J.Biol.Chem., 294, 2019
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6HF4
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![BU of 6hf4 by Molmil](/molmil-images/mine/6hf4) | The structure of BoMan26B, a GH26 beta-mannanase from Bacteroides ovatus, complexed with G1M4 | 分子名称: | CALCIUM ION, CHLORIDE ION, Glycosyl hydrolase family 26, ... | 著者 | Bagenholm, V, Logan, D.T, Stalbrand, H. | 登録日 | 2018-08-21 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | 主引用文献 | A surface-exposed GH26 beta-mannanase fromBacteroides ovatus: Structure, role, and phylogenetic analysis ofBoMan26B. J.Biol.Chem., 294, 2019
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6IC5
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![BU of 6ic5 by Molmil](/molmil-images/mine/6ic5) | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2 | 分子名称: | (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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6I69
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![BU of 6i69 by Molmil](/molmil-images/mine/6i69) | |
6HYG
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![BU of 6hyg by Molmil](/molmil-images/mine/6hyg) | Heteromeric tandem IgG4/IgG1 Fc | 分子名称: | IgHG1 and IgHG4 hybrid, ZINC ION | 著者 | Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G. | 登録日 | 2018-10-21 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM. Proc.Natl.Acad.Sci.USA, 116, 2019
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6IC6
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![BU of 6ic6 by Molmil](/molmil-images/mine/6ic6) | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | 分子名称: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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6I6I
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![BU of 6i6i by Molmil](/molmil-images/mine/6i6i) | Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69, L75A mutant | 分子名称: | 30S ribosomal protein S6,30S ribosomal protein S6, SULFATE ION | 著者 | Wang, H, Logan, D.T, Oliveberg, M. | 登録日 | 2018-11-15 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
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6I75
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![BU of 6i75 by Molmil](/molmil-images/mine/6i75) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 2 | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2018-11-15 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.171 Å) | 主引用文献 | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6I74
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![BU of 6i74 by Molmil](/molmil-images/mine/6i74) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1 | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | 登録日 | 2018-11-15 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.959 Å) | 主引用文献 | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6ZBA
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![BU of 6zba by Molmil](/molmil-images/mine/6zba) | Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | 分子名称: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | 著者 | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | 登録日 | 2020-06-08 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis. J.Med.Chem., 63, 2020
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