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7Z99
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BU of 7z99 by Molmil
Crystal structure of F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfoxide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), [(S)-methylsulfinyl]benzene
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
7ZCA
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BU of 7zca by Molmil
Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ...
著者Kratky, J, Weisse, R, Strater, N.
登録日2022-03-26
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BRB
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BU of 8brb by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA)
分子名称: DIMETHYL SULFOXIDE, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
著者Richter, P.K, Strater, N.
登録日2022-11-22
公開日2023-04-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
8BRA
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BU of 8bra by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA) and Mg2+
分子名称: MAGNESIUM ION, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
著者Richter, P.K, Strater, N.
登録日2022-11-22
公開日2023-04-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
7NEI
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BU of 7nei by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) in the unliganded state
分子名称: Polyester Hydrolase Leipzig 7 (PHL-7), SODIUM ION
著者Richter, P.K, Strater, N.
登録日2021-02-04
公開日2021-06-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Low Carbon Footprint Recycling of Post-Consumer PET Plastic with a Metagenomic Polyester Hydrolase.
ChemSusChem, 15, 2022
7P9T
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BU of 7p9t by Molmil
Crystal structure of CD73 in complex with dCMP in the open form
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBA
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BU of 7pba by Molmil
Crystal structure of CD73 in complex with IMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-01
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9N
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BU of 7p9n by Molmil
Crystal structure of CD73 in complex with AMP in the open form
分子名称: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBY
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BU of 7pby by Molmil
Crystal structure of CD73 in complex with 4-nitrocatechol in the open form
分子名称: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-02
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-28
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
分子名称: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-03
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9R
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BU of 7p9r by Molmil
Crystal structure of CD73 in complex with GMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBB
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BU of 7pbb by Molmil
Crystal structure of CD73 in complex with caffeine in the open form
分子名称: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-01
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PD9
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BU of 7pd9 by Molmil
Crystal structure of CD73 in complex with riboflavin in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Scaletti, E.R, Strater, N.
登録日2021-08-04
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PB5
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BU of 7pb5 by Molmil
Crystal structure of CD73 in complex with UMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-30
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
3CJ9
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BU of 3cj9 by Molmil
Structure of Rattus norvegicus NTPDase2 in complex with calcium, AMP and phosphate
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Ectonucleoside triphosphate diphosphohydrolase 2, ...
著者Zebisch, M, Strater, N.
登録日2008-03-12
公開日2008-04-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CJ7
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BU of 3cj7 by Molmil
Structure of Rattus norvegicus NTPDase2 in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Ectonucleoside triphosphate diphosphohydrolase 2
著者Zebisch, M, Strater, N.
登録日2008-03-12
公開日2008-04-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CJ1
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BU of 3cj1 by Molmil
Structure of Rattus norvegicus NTPDase2
分子名称: Ectonucleoside triphosphate diphosphohydrolase 2
著者Zebisch, M, Strater, N.
登録日2008-03-12
公開日2008-04-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CJA
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BU of 3cja by Molmil
Structure of Rattus norvegicus NTPDase2 in complex with calcium and AMPPNP
分子名称: CALCIUM ION, Ectonucleoside triphosphate diphosphohydrolase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Zebisch, M, Strater, N.
登録日2008-03-12
公開日2008-04-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling
Proc.Natl.Acad.Sci.Usa, 105, 2008
4O36
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BU of 4o36 by Molmil
Semisynthetic RNase S1-15-H7/11-Q10
分子名称: CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ...
著者Genz, M, Strater, N.
登録日2013-12-18
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献An Artificial Imine Reductase based on the Ribonuclease S scaffold
Chem.Cat.Chem, 2014
4OKF
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BU of 4okf by Molmil
RNase S in complex with an artificial peptide
分子名称: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
著者Genz, M, Strater, N.
登録日2014-01-22
公開日2015-03-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献X-ray structure of a RNase S variant in complex with an artificial peptide
To be Published
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2024-01-24
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
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
6TVG
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BU of 6tvg by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with AMPCP in the open state
分子名称: 5'-nucleotidase, ecto (CD73), isoform CRA_a, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 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
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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