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5J5X
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BU of 5j5x by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416
分子名称: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ...
著者Alam, K.A, Ivan, T, Uri, A, Engh, R.A.
登録日2016-04-04
公開日2016-07-20
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
4WIH
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BU of 4wih by Molmil
Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus
分子名称: cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha
著者Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H.
登録日2014-09-25
公開日2014-10-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.139 Å)
主引用文献High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus.
Acta Crystallogr.,Sect.F, 71, 2015
6Z44
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BU of 6z44 by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with phenol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ...
著者Oebbeke, M, Heine, A, Klebe, G.
登録日2020-05-22
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
5J3J
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BU of 5j3j by Molmil
Crystal Structure of human DPP-IV in complex with HL1
分子名称: (2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Wu, F, Li, H, Zhao, Z, Zhu, L, Xu, H, Li, S.
登録日2016-03-31
公開日2017-04-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of human DPP-IV in complex with HL1
To Be Published
5KBY
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BU of 5kby by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with SYR-472
分子名称: 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Skene, R.J, Jennings, A.J.
登録日2016-06-03
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Trelagliptin (SYR-472, Zafatek), Novel Once-Weekly Treatment for Type 2 Diabetes, Inhibits Dipeptidyl Peptidase-4 (DPP-4) via a Non-Covalent Mechanism.
Plos One, 11, 2016
5EFU
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BU of 5efu by Molmil
Resting state of rat cysteine dioxygenase H155Q variant
分子名称: Cysteine dioxygenase type 1, FE (II) ION
著者Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-10-26
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Resting state of rat cysteine dioxygenase H155Q variant
To be published
4X6R
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BU of 4x6r by Molmil
An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Wu, J, Taylor, S.S.
登録日2014-12-09
公開日2015-07-22
最終更新日2020-06-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
5ERA
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BU of 5era by Molmil
Human Connexin-26 (Calcium-free)
分子名称: Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
4X6Q
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BU of 4x6q by Molmil
An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit
著者Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Taylor, S.S.
登録日2014-12-08
公開日2015-07-22
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
分子名称: CALCIUM ION, Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.286 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
6ZN0
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BU of 6zn0 by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with isonicotinamidine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, ISONICOTINAMIDINE, ...
著者Oebbeke, M, Heine, A, Klebe, G.
登録日2020-07-06
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
4XEZ
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BU of 4xez by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with dithionite
分子名称: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION, ...
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-25
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2469 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XF3
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BU of 4xf3 by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with cysteine and dithionite
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-25
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFC
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BU of 4xfc by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 unliganded
分子名称: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-26
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XET
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BU of 4xet by Molmil
Fe-Cl bound Y157F CDO at pH ~7.0 in the presence of azide
分子名称: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-24
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XF0
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BU of 4xf0 by Molmil
cysteine dioxygenase variant - C93A at pH 8.0 with cysteine
分子名称: CHLORIDE ION, CYSTEINE, Cysteine dioxygenase type 1, ...
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-25
公開日2016-03-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3994 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XFG
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BU of 4xfg by Molmil
cysteine dioxygenase variant - C93A at pH 6.2 with cysteine
分子名称: CHLORIDE ION, CYSTEINE, Cysteine dioxygenase type 1, ...
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-26
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XF1
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BU of 4xf1 by Molmil
cysteine dioxygenase variant - Y157F at pH 8.0 with cysteine
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-25
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XF9
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BU of 4xf9 by Molmil
cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-26
公開日2016-02-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
5EZW
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BU of 5ezw by Molmil
Thiosulfate bound rat cysteine dioxygenase Y157H variant
分子名称: Cysteine dioxygenase type 1, FE (II) ION, THIOSULFATE
著者Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-11-27
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Thiosulfate bound rat cysteine dioxygenase Y157H variant
To be published
5JR7
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BU of 5jr7 by Molmil
Crystal structure of an ACRDYS heterodimer [RIa(92-365):C] of PKA
分子名称: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Bruystens, J.G.H, Wu, J, Taylor, S.S.
登録日2016-05-05
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Structure of a PKA RI alpha Recurrent Acrodysostosis Mutant Explains Defective cAMP-Dependent Activation.
J. Mol. Biol., 428, 2016
4XW6
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BU of 4xw6 by Molmil
X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
登録日2015-01-28
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
4XF4
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BU of 4xf4 by Molmil
Cysteine dioxygenase at pH 8.0 in complex with homocysteine
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-26
公開日2016-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.3485 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XW5
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BU of 4xw5 by Molmil
X-ray structure of PKAc with ATP, CP20, calcium ions
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
登録日2015-01-28
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
4XFH
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BU of 4xfh by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 with cysteine
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-26
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016

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