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5M71
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BU of 5m71 by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with an (R)-methyl substitued Fasudil-derivative.
Descriptor: 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.565 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5M0C
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BU of 5m0c by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5M6V
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BU of 5m6v by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
2QCS
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BU of 2qcs by Molmil
A complex structure between the Catalytic and Regulatory subunit of Protein Kinase A that represents the inhibited state
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Kim, C, Cheng, C.Y, Saldanha, A.S, Taylor, S.S.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PKA-I holoenzyme structure reveals a mechanism for cAMP-dependent activation.
Cell(Cambridge,Mass.), 130, 2007
2WEF
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BU of 2wef by Molmil
Human 3'(2'), 5'-bisphosphate nucleotidase 1 (BPNT1) in complex with AMP, PO4 and Magnesium
Descriptor: 3'(2'), 5'-BISPHOSPHATE NUCLEOTIDASE 1, ADENOSINE MONOPHOSPHATE, ...
Authors:Moche, M, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-03-30
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human 3'(2'), 5'-Bisphosphate Nucleotidase 1 (Bpnt1) in Complex with AMP, Po4 and Magnesium
To be Published
7UUX
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BU of 7uux by Molmil
ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Gabelli, S.B, Sohn, J.
Deposit date:2022-04-29
Release date:2023-05-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
7UXW
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BU of 7uxw by Molmil
Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wu, S, Gabelli, S.B, Sohn, J.
Deposit date:2022-05-06
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
7UYQ
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BU of 7uyq by Molmil
Structure of GTP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination
Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wu, S, Gabelli, S.B, Sohn, J.
Deposit date:2022-05-07
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
3PLQ
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BU of 3plq by Molmil
Crystal structure of PKA type I regulatory subunit bound with Rp-8-Br-cAMPS
Descriptor: (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide, ZINC ION, cAMP-dependent protein kinase type I-alpha regulatory subunit
Authors:Swaminathan, K.
Deposit date:2010-11-15
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyclic AMP analog blocks kinase activation by stabilizing inactive conformation: Conformational selection highlights a new concept in allosteric inhibitor design
To be Published
1O96
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BU of 1o96 by Molmil
Structure of electron transferring flavoprotein for Methylophilus methylotrophus.
Descriptor: ADENOSINE MONOPHOSPHATE, ELECTRON TRANSFERRING FLAVOPROTEIN ALPHA-SUBUNIT, ELECTRON TRANSFERRING FLAVOPROTEIN BETA-SUBUNIT, ...
Authors:Leys, D, Basran, J, Talfournier, F, Sutcliffe, M.J, Scrutton, N.S.
Deposit date:2002-12-11
Release date:2003-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Extensive Conformational Sampling in a Ternary Electron Transfer Complex.
Nat.Struct.Biol., 10, 2003
4H46
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BU of 4h46 by Molmil
Crystal Structure of AMP complexes of NEM modified Porcine Liver Fructose-1,6-bisphosphatase
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-16
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fluorescent 2',3'-O-(2,4,6-trinitrophenyl) (TNP)-AMP Is an Active Site Inhibitor for Porcine Liver Fructose-1,6-bisphosphatase Rather Than Allosteric Inhibitor
To be Published
4EEI
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BU of 4eei by Molmil
Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ...
Authors:Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-28
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.921 Å)
Cite:Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate
To be Published
6XKD
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BU of 6xkd by Molmil
Structure of ligand-bound mouse cGAMP hydrolase ENPP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Fernandez, D, Li, L.
Deposit date:2020-06-26
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
2R5T
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BU of 2r5t by Molmil
Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G.
Deposit date:2007-09-04
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
2QGA
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BU of 2qga by Molmil
Plasmodium vivax adenylosuccinate lyase Pv003765 with AMP bound
Descriptor: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, CALCIUM ION, ...
Authors:Lunin, V.V, Wernimont, A.K, Lew, J, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Altamentova, S, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Plasmodium vivax adenylosuccinate lyase Pv003765 with AMP bound
To be Published
8IXZ
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BU of 8ixz by Molmil
Structure of Acb2 complexed with 3',2'-cGAMP
Descriptor: 3'2'-cGAMP, p26
Authors:Cao, X.L, Xiao, Y, Feng, Y.
Deposit date:2023-04-03
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024
7FTL
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BU of 7ftl by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
Descriptor: (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTU
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BU of 7ftu by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-[4-(4-chlorophenyl)sulfonylphenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Descriptor: (2Z)-N-[4-(4-chlorobenzene-1-sulfonyl)phenyl]-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTX
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BU of 7ftx by Molmil
Crystal Structure of apo human cyclic GMP-AMP synthase - hexagonal form
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.831 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FU5
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BU of 7fu5 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase
Descriptor: (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, SULFATE ION, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FU7
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BU of 7fu7 by Molmil
Crystal Structure of human cyclic GMP-AMP synthase
Descriptor: (6M)-2-(benzylamino)-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7BUJ
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BU of 7buj by Molmil
mcGAS bound with pppGpG
Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wang, B, Su, X.D.
Deposit date:2020-04-07
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020
6J23
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BU of 6j23 by Molmil
Crystal structure of arabidopsis ADAL complexed with GMP
Descriptor: Adenosine/AMP deaminase family protein, GUANOSINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
Deposit date:2018-12-30
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019

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數據於2024-08-28公開中

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