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BU of 5l0n by Molmil

PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with RP-cGMP
分子名称:	1,2-ETHANEDIOL, 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者	Campbell, J.C, Sankaran, B, Kim, C.W.
登録日	2016-07-27
公開日	2017-08-02
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (1.285 Å)
主引用文献	Structure of PKG I CNB-B bound to RP-cGMP To Be Published

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BU of 5jiz by Molmil

PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者	Campbell, J.C, Kim, C.W.
登録日	2016-04-22
公開日	2017-05-03
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP To Be Published

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BU of 7lv3 by Molmil

Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state
分子名称:	1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ...
著者	Sharma, R, Lying, Q, Casteel, D, Kim, C.
登録日	2021-02-23
公開日	2022-08-24
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.41 Å)
主引用文献	An auto-inhibited state of protein kinase G and implications for selective activation. Elife, 11, 2022

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BU of 7mbj by Molmil

Crystal structure of cGMP dependent protein kinase I alpha (PKG I alpha)CNB-A domain with R177Q mutation
分子名称:	cGMP-dependent protein kinase 1
著者	Kim, J.J, Casteel, D.E, Kim, C.
登録日	2021-03-31
公開日	2022-05-11
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.26 Å)
主引用文献	An auto-inhibited state of protein kinase G and implications for selective activation. Elife, 11, 2022

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BU of 5h22 by Molmil

Hsp90 alpha N-terminal domain in complex with an inhibitor
分子名称:	4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine, Hsp90aa1 protein
著者	Kim, E.E, Shin, S.C, Keum, G.C.
登録日	2016-10-13
公開日	2017-10-11
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.499 Å)
主引用文献	Synthesis and in vitro antiproliferative activity of C5-benzyl substituted 2-amino-pyrrolo[2,3-d]pyrimidines as potent Hsp90 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017

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BU of 5gvj by Molmil

Structure of FabK (M276A) mutant from Thermotoga maritima
分子名称:	Enoyl-[acyl-carrier-protein] reductase [FMN], SODIUM ION
著者	Kim, E.E, Shin, S.C, Ha, B.H, Moon, J.H.
登録日	2016-09-06
公開日	2017-04-26
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structural and biochemical characterization of FabK from Thermotoga maritima. Biochem. Biophys. Res. Commun., 482, 2017

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BU of 5gvh by Molmil

Structure of FabK from Thermotoga maritima
分子名称:	Enoyl-[acyl-carrier-protein] reductase [FMN], FLAVIN MONONUCLEOTIDE, SODIUM ION
著者	Kim, E.E, Shin, S.C, Ha, B.H, Moon, J.H.
登録日	2016-09-05
公開日	2017-06-07
最終更新日	2024-03-20
実験手法	X-RAY DIFFRACTION (2.294 Å)
主引用文献	Structural and biochemical characterization of FabK from Thermotoga maritima. Biochem. Biophys. Res. Commun., 482, 2017

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BU of 3iia by Molmil

Crystal structure of apo (91-244) RIa subunit of cAMP-dependent protein kinase
分子名称:	GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者	Sjoberg, T.J, Kim, C, Kornev, A.P, Taylor, S.S.
登録日	2009-07-31
公開日	2010-08-11
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Cyclic AMP analog blocks kinase activation by stabilizing inactive conformation: conformational selection highlights a new concept in allosteric inhibitor design. Mol.Cell Proteomics, 10, 2011

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BU of 5bv6 by Molmil

PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP
分子名称:	ACETATE ION, CALCIUM ION, GUANOSINE-3',5'-MONOPHOSPHATE, ...
著者	Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
登録日	2015-06-04
公開日	2016-01-20
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016

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BU of 5c6c by Molmil

PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP
分子名称:	1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ...
著者	Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
登録日	2015-06-22
公開日	2016-01-20
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016

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BU of 5c8w by Molmil

PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cGMP
分子名称:	CYCLIC GUANOSINE MONOPHOSPHATE, MALONIC ACID, SODIUM ION, ...
著者	Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
登録日	2015-06-26
公開日	2016-01-20
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016

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BU of 3pna by Molmil

Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase
分子名称:	ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者	Kim, C, Taylor, S.
登録日	2010-11-18
公開日	2011-02-09
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.503 Å)
主引用文献	Cyclic AMP Analog Blocks Kinase Activation by Stabilizing Inactive Conformation: Conformational Selection Highlights a New Concept in Allosteric Inhibitor Design. Mol Cell Proteomics, 10, 2011

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BU of 3ont by Molmil

The Crystal Structure of Spot14, a modulator of lipogenesis
分子名称:	Spot 14 protein
著者	Colbert, C.L, Kwon, H.J, Deisenhofer, J.
登録日	2010-08-30
公開日	2011-01-19
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	Crystal structure of Spot 14, a modulator of fatty acid synthesis. Proc.Natl.Acad.Sci.USA, 107, 2010

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BU of 5jd7 by Molmil

PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP
分子名称:	3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1
著者	Campbell, J.C, Sankaran, B, Kim, C.W.
登録日	2016-04-15
公開日	2017-08-09
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.749 Å)
主引用文献	Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017

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BU of 5jax by Molmil

PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP
分子名称:	2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ...
著者	Campbell, J.C, Sankaran, B, Kim, C.W.
登録日	2016-04-12
公開日	2017-04-19
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.486 Å)
主引用文献	Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017

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BU of 5jix by Molmil

PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP
分子名称:	1,2-ETHANEDIOL, 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
著者	Campbell, J.C, Kim, C.W.
登録日	2016-04-22
公開日	2017-05-03
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.47 Å)
主引用文献	Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017

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BU of 5j48 by Molmil

PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
分子名称:	1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者	Campbell, J.C, Sankaran, B, Kim, C.W.
登録日	2016-03-31
公開日	2017-04-12
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.49 Å)
主引用文献	Structural Basis of Analog Specificity in PKG I and II. ACS Chem. Biol., 12, 2017

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BU of 5y7k by Molmil

Crystal structure of human DPP4 in complex with inhibitor1
分子名称:	(R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one, Dipeptidyl peptidase 4
著者	Lee, H.K, Kim, E.E.
登録日	2017-08-17
公開日	2019-03-20
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.512 Å)
主引用文献	Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017

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BU of 5y7j by Molmil

Crystal structure of human DPP4 in complex with inhibitor2
分子名称:	(S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one, Dipeptidyl peptidase 4
著者	Lee, H.K, Kim, E.E.
登録日	2017-08-17
公開日	2019-03-20
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.521 Å)
主引用文献	Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017

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BU of 5y7h by Molmil

Crystal structure of human DPP4 in complex with inhibitor3
分子名称:	(R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one, Dipeptidyl peptidase 4
著者	Lee, H.K, Kim, E.E.
登録日	2017-08-17
公開日	2019-03-20
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017

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