5EI0
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![BU of 5ei0 by Molmil](/molmil-images/mine/5ei0) | Structure of RCL-cleaved vaspin (serpinA12) | 分子名称: | Serpin A12 | 著者 | Pippel, J, Kuettner, B.E, Ulbricht, D, Daberger, J, Schultz, S, Heiker, J.T, Strater, N. | 登録日 | 2015-10-29 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of cleaved vaspin (serpinA12). Biol.Chem., 397, 2016
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5N5D
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![BU of 5n5d by Molmil](/molmil-images/mine/5n5d) | Crystal Structure of the O-Methyltransferase TomG from Streptomyces achromogenes involved in Tomaymycin synthesis in complex with SAM | 分子名称: | (R,R)-2,3-BUTANEDIOL, GLYCEROL, Methyltransferase, ... | 著者 | Pippel, J, Blankenfeldt, W. | 登録日 | 2017-02-13 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Total Biosynthesis of the Pyrrolo[4,2]benzodiazepine Scaffold Tomaymycin on an In Vitro Reconstituted NRPS System. Cell Chem Biol, 24, 2017
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4Y3K
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![BU of 4y3k by Molmil](/molmil-images/mine/4y3k) | Structure of Vaspin mutant E379S | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | 著者 | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | 登録日 | 2015-02-10 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
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4Y40
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![BU of 4y40 by Molmil](/molmil-images/mine/4y40) | Structure of Vaspin mutant D305C V383C | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 | 著者 | Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. | 登録日 | 2015-02-10 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
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4H1Y
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![BU of 4h1y by Molmil](/molmil-images/mine/4h1y) | Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with PSB11552 | 分子名称: | 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name), 5'-nucleotidase, CALCIUM ION, ... | 著者 | Pippel, J, Zebisch, M, Knapp, K, Straeter, N. | 登録日 | 2012-09-11 | 公開日 | 2012-11-28 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. Structure, 20, 2012
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6S7F
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6S7H
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![BU of 6s7h by Molmil](/molmil-images/mine/6s7h) | Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state | 分子名称: | (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ... | 著者 | Pippel, J, Strater, N. | 登録日 | 2019-07-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy Adv Ther, 2019
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6TWA
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![BU of 6twa by Molmil](/molmil-images/mine/6twa) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state | 分子名称: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | 著者 | Pippel, J, Strater, N. | 登録日 | 2020-01-12 | 公開日 | 2020-02-19 | 最終更新日 | 2020-04-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6TWF
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![BU of 6twf by Molmil](/molmil-images/mine/6twf) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state | 分子名称: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | 著者 | Pippel, J, Strater, N. | 登録日 | 2020-01-13 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6TW0
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![BU of 6tw0 by Molmil](/molmil-images/mine/6tw0) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state | 分子名称: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | 著者 | Pippel, J, Strater, N. | 登録日 | 2020-01-10 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6TVX
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![BU of 6tvx by Molmil](/molmil-images/mine/6tvx) | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state | 分子名称: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | 著者 | Pippel, J, Strater, N. | 登録日 | 2020-01-10 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6GKX
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6GKW
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![BU of 6gkw by Molmil](/molmil-images/mine/6gkw) | |
4H2I
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![BU of 4h2i by Molmil](/molmil-images/mine/4h2i) | Human ecto-5'-nucleotidase (CD73): crystal form III (closed) in complex with AMPCP | 分子名称: | 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ... | 著者 | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | 登録日 | 2012-09-12 | 公開日 | 2012-11-28 | 最終更新日 | 2018-06-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. Structure, 20, 2012
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4H2F
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![BU of 4h2f by Molmil](/molmil-images/mine/4h2f) | Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine | 分子名称: | 5'-nucleotidase, ADENOSINE, CALCIUM ION, ... | 著者 | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | 登録日 | 2012-09-12 | 公開日 | 2012-11-28 | 最終更新日 | 2014-10-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. Structure, 20, 2012
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4H2G
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![BU of 4h2g by Molmil](/molmil-images/mine/4h2g) | Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with adenosine | 分子名称: | 5'-nucleotidase, ADENOSINE, CALCIUM ION, ... | 著者 | Straeter, N, Knapp, K.M, Zebisch, M, Pippel, J. | 登録日 | 2012-09-12 | 公開日 | 2012-11-28 | 最終更新日 | 2012-12-26 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. Structure, 20, 2012
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4H2B
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![BU of 4h2b by Molmil](/molmil-images/mine/4h2b) | Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with Baicalin | 分子名称: | 5'-nucleotidase, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, CALCIUM ION, ... | 著者 | Zebisch, M, Pippel, J, Knapp, K, Straeter, N. | 登録日 | 2012-09-12 | 公開日 | 2012-11-28 | 最終更新日 | 2012-12-26 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. Structure, 20, 2012
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6ZTH
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6ZTI
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6Y4S
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![BU of 6y4s by Molmil](/molmil-images/mine/6y4s) | |
6NVX
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6NVY
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6NVW
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![BU of 6nvw by Molmil](/molmil-images/mine/6nvw) | |
6SJU
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![BU of 6sju by Molmil](/molmil-images/mine/6sju) | |
6SHI
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![BU of 6shi by Molmil](/molmil-images/mine/6shi) | |