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6TWA
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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
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2024-01-24
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
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
3O5B
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BU of 3o5b by Molmil
Crystal structure of dimeric KlHxk1 in crystal form VII with glucose bound (open state)
分子名称: Hexokinase, SULFATE ION, beta-D-glucopyranose
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-28
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
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
3O08
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BU of 3o08 by Molmil
Crystal structure of dimeric KlHxk1 in crystal form I
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hexokinase, SULFATE ION
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-19
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
3O4W
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Crystal structure of dimeric KlHxk1 in crystal form IV
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Hexokinase, ...
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-27
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
3O8M
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BU of 3o8m by Molmil
Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state)
分子名称: CHLORIDE ION, Hexokinase, alpha-D-glucopyranose, ...
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-08-03
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
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
3O1B
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BU of 3o1b by Molmil
CRYSTAL STRUCTURE OF DIMERIC KLHXK1 IN CRYSTAL FORM II
分子名称: Hexokinase
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-21
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
3O1W
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BU of 3o1w by Molmil
Crystal structure of dimeric KlHxk1 in crystal form III
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Hexokinase, ...
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-22
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
3O6W
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BU of 3o6w by Molmil
Crystal structure of monomeric KlHxk1 in crystal form VIII (open state)
分子名称: GLYCEROL, Hexokinase, PHOSPHATE ION
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-07-29
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
3O80
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BU of 3o80 by Molmil
Crystal structure of monomeric KlHxk1 in crystal form IX (open state)
分子名称: Hexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
登録日2010-08-02
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
4A5B
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BU of 4a5b by Molmil
Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1)
分子名称: NUCLEOSIDE-TRIPHOSPHATASE 2
著者Krug, U, Zebisch, M, Strater, N.
登録日2011-10-24
公開日2011-11-30
最終更新日2013-12-25
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural Insight Into Activation Mechanism of Toxoplasma Gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction.
J.Biol.Chem., 287, 2012
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
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
4O37
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BU of 4o37 by Molmil
seminsynthetic RNase S1-15-3Pl-7/11
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2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Artificial Imine Reductase based on the Ribonuclease S Scaffold
Chem.Cat.Chem, 2014
4JAX
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BU of 4jax by Molmil
Crystal structure of dimeric KlHxk1 in crystal form X
分子名称: GLYCEROL, Hexokinase, PHOSPHATE ION
著者Kuettner, E.B, Strater, N, Kettner, K, Otto, A, Lilie, H, Golbik, R.P, Kriegel, T.M.
登録日2013-02-19
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献In vivo phosphorylation and in vitro autophosphorylation-inactivation of Kluyveromyces lactis hexokinase KlHxk1.
Biochem.Biophys.Res.Commun., 435, 2013
4JEP
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BU of 4jep by Molmil
Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1)
分子名称: Nucleoside-triphosphatase 2
著者Krug, U, Totzauer, R, Strater, N.
登録日2013-02-27
公開日2013-04-10
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 represents a conformational intermediate in the reductive activation mechanism of the tetrameric enzyme.
Proteins, 81, 2013
4KH5
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BU of 4kh5 by Molmil
Toxoplasma gondii NTPDase1 C258S/C268S in complex with Mg and AMPNP
分子名称: 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, MAGNESIUM ION, Nucleoside-triphosphatase 2
著者Krug, U, Totzauer, R, Strater, N.
登録日2013-04-30
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The ATP/ADP substrate specificity switch between Toxoplasma gondii NTPDase1 and NTPDase3 is caused by an altered mode of binding of the substrate base.
Chembiochem, 14, 2013
4KH4
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BU of 4kh4 by Molmil
Toxoplasma gondii NTPDase1 C258S/C268S in complex with Mg and AMPPNP
分子名称: MAGNESIUM ION, Nucleoside-triphosphatase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Krug, U, Totzauer, R, Strater, N.
登録日2013-04-30
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The ATP/ADP substrate specificity switch between Toxoplasma gondii NTPDase1 and NTPDase3 is caused by an altered mode of binding of the substrate base.
Chembiochem, 14, 2013
4KH6
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Toxoplasma gondii NTPDase1 C258S/C268S E493G crystallized with Mg and AMPNP
分子名称: 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, MAGNESIUM ION, Nucleoside-triphosphatase 2
著者Krug, U, Totzauer, R, Strater, N.
登録日2013-04-30
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The ATP/ADP substrate specificity switch between Toxoplasma gondii NTPDase1 and NTPDase3 is caused by an altered mode of binding of the substrate base.
Chembiochem, 14, 2013

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