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PDB: 17 件
5EI0
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BU of 5ei0 by Molmil
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
5N5D
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BU of 5n5d by Molmil
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
4Y3K
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BU of 4y3k by Molmil
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
4Y40
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BU of 4y40 by Molmil
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2024-11-06
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
6S7F
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BU of 6s7f by Molmil
Human CD73 (5'-nucleotidase) in complex with PSB12379 (an AOPCP derivative) in the closed state
分子名称: 5'-nucleotidase, CALCIUM ION, N6-benzyl-(alpha,beta)-methylene-ADP, ...
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 (2.05 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
6S7H
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BU of 6s7h by Molmil
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2024-11-06
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
6TWA
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BU of 6twa by Molmil
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2024-10-23
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
6TWF
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BU of 6twf by Molmil
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2024-11-13
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
6TW0
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BU of 6tw0 by Molmil
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
6TVX
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BU of 6tvx by Molmil
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
4H1Y
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BU of 4h1y by Molmil
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2024-10-09
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
6GKW
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BU of 6gkw by Molmil
Crystal structure of the R-type bacteriocin sheath protein CD1363 from Clostridium difficile in the pre-assembled state
分子名称: Putative phage XkdK-like protein
著者Schwemmlein, N, Pippel, J, Gazdag, E.M, Blankenfeldt, W.
登録日2018-05-22
公開日2018-08-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of R-Type Bacteriocin Sheath and Tube Proteins CD1363 and CD1364 FromClostridium difficilein the Pre-assembled State.
Front Microbiol, 9, 2018
6GKX
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BU of 6gkx by Molmil
Crystal structure of the R-type bacteriocin tube protein CD1364 from Clostridium difficile in the pre-assembled state
分子名称: Putative phage XkdM-like protein
著者Schwemmlein, N, Pippel, J, Gazdag, E.M, Blankenfeldt, W.
登録日2018-05-22
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structures of R-Type Bacteriocin Sheath and Tube Proteins CD1363 and CD1364 FromClostridium difficilein the Pre-assembled State.
Front Microbiol, 9, 2018
4H2B
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BU of 4h2b by Molmil
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2024-11-06
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
4H2F
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BU of 4h2f by Molmil
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2024-11-06
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
4H2G
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BU of 4h2g by Molmil
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
4H2I
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BU of 4h2i by Molmil
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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