PDB: 59042 resultsInfo pagesStatus searchChemie searchBIRD

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5LCT	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-06-22 Release date: 2018-01-17 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.615 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To Be Published
5LCU	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-06-22 Release date: 2018-01-17 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.579 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To Be Published
5M71	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: 2024-11-06 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
5M6V	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: 2024-11-13 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
4O82	SAICAR synthetase (Type-1) in complex with ADP AND AMP in both chains Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ... Authors: Manjunath, K, Jeyakanthan, J, Sekar, K. Deposit date: 2013-12-26 Release date: 2014-12-31 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.16 Å) Cite: SAICAR synthetase (Type-1) in complex with ADP AND AMP in both chains To be Published
5OE5	Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 3) Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase, DI(HYDROXYETHYL)ETHER Authors: Witzgall, F, Ewert, W, Blankenfeldt, W. Deposit date: 2017-07-07 Release date: 2017-09-06 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis. Chembiochem, 18, 2017
5LCQ	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05) Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-06-22 Release date: 2018-01-17 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.423 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To Be Published
5M0B	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a short-chained N-(2-aminoethyl)isoquinoline-5-sulfonamide) Fasudil-derivative (Ligand 03) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-10-04 Release date: 2018-06-06 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.506 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives To Be Published
5M6Y	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, 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: 2024-11-06 Method: X-RAY DIFFRACTION (1.367 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands To be Published
5M75	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative Descriptor: 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline, DIMETHYL SULFOXIDE, 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: 2024-11-06 Method: X-RAY DIFFRACTION (1.538 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands. To be Published
3JTF	The CBS Domain Pair Structure of a magnesium and cobalt efflux protein from Bordetella parapertussis in complex with AMP Descriptor: ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein, SULFATE ION Authors: Cuff, M.E, Tesar, C, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2009-09-11 Release date: 2009-12-22 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2 Å) Cite: The CBS Domain Pair Structure of a magnesium and cobalt efflux protein from Bordetella parapertussis in complex with AMP TO BE PUBLISHED
1RGK	RNASE T1 MUTANT GLU46GLN BINDS THE INHIBITORS 2'GMP AND 2'AMP AT THE 3' SUBSITE Descriptor: ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, RIBONUCLEASE T1 Authors: Granzin, J, Puras-Lutzke, R, Landt, O, Grunert, H.-P, Heinemann, U, Saenger, W, Hahn, U. Deposit date: 1992-02-19 Release date: 1993-01-15 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.87 Å) Cite: RNase T1 mutant Glu46Gln binds the inhibitors 2'GMP and 2'AMP at the 3' subsite. J.Mol.Biol., 225, 1992
5LCP	Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77) Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, DIMETHYL SULFOXIDE, METHANOL, ... Authors: Wienen-Schmidt, B, Heine, A, Klebe, G. Deposit date: 2016-06-22 Release date: 2018-01-17 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.433 Å) Cite: Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77) To Be Published
8GIS	Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.5mM Mn2+ Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ... Authors: Wu, S, Sohn, J. Deposit date: 2023-03-14 Release date: 2024-04-17 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.46 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
8GIR	Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.2mM Mn2+ Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ... Authors: Wu, S, Sohn, J. Deposit date: 2023-03-14 Release date: 2024-04-17 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
8GIO	Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 0.1mM Mn2+ Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ... Authors: Wu, S, Sohn, J. Deposit date: 2023-03-14 Release date: 2024-04-17 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.67 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
8GIT	Structure of Ternary Complex of mouse cGAS with dsDNA and Bound ATP: with 10mM Mg2+ and 1mM Mn2+ Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ... Authors: Wu, S, Sohn, J. Deposit date: 2023-03-14 Release date: 2024-04-17 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.72 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
8G10	Structure of Ternary Complex of cGAS with dsDNA and Bound ITP and GTP Descriptor: Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... Authors: Wu, S, Sohn, J. Deposit date: 2023-02-01 Release date: 2024-05-22 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.47 Å) Cite: The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Nat Commun, 15, 2024
1O97	Structure of electron transferring flavoprotein from Methylophilus methylotrophus, recognition loop removed by limited proteolysis 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 (1.6 Å) Cite: Extensive Conformational Sampling in a Ternary Electron Transfer Complex. Nat.Struct.Biol., 10, 2003
1SVJ	The solution structure of the nucleotide binding domain of KdpB Descriptor: Potassium-transporting ATPase B chain Authors: Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H. Deposit date: 2004-03-29 Release date: 2004-09-21 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Inter-domain motions of the N-domain of the KdpFABC complex, a P-type ATPase, are not driven by ATP-induced conformational changes. J.Mol.Biol., 342, 2004
8V1Y	Composite map of AMPylated GlnA bound to hinT Descriptor: ADENOSINE MONOPHOSPHATE, Glutamine synthetase, Purine nucleoside phosphoramidase Authors: Han, Y, Sreelatha, A, Gonzalez, A, Chen, Z. Deposit date: 2023-11-21 Release date: 2024-11-27 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Composite map of AMPylated GlnA bound to hinT To Be Published
3HF7	The Crystal Structure of a CBS-domain Pair with Bound AMP from Klebsiella pneumoniae to 2.75A Descriptor: ADENOSINE MONOPHOSPHATE, uncharacterized CBS-domain protein Authors: Stein, A.J, Nocek, B, Wu, R, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2009-05-11 Release date: 2009-05-26 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.75 Å) Cite: The Crystal Structure of a CBS-domain Pair with Bound AMP from Klebsiella pneumoniae to 2.75A To be Published
1RGL	RNASE T1 MUTANT GLU46GLN BINDS THE INHIBITORS 2'GMP AND 2'AMP AT THE 3' SUBSITE Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 Authors: Granzin, J, Puras-Lutzke, R, Landt, O, Grunert, H.-P, Heinemann, U, Saenger, W, Hahn, U. Deposit date: 1992-02-19 Release date: 1993-01-15 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2 Å) Cite: RNase T1 mutant Glu46Gln binds the inhibitors 2'GMP and 2'AMP at the 3' subsite. J.Mol.Biol., 225, 1992
4O83	SAICAR synthetase (Type-1) in complex with ADP/AMP Descriptor: 1,4-BUTANEDIOL, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... Authors: Manjunath, K, Jeyakanthan, J, Sekar, K. Deposit date: 2013-12-26 Release date: 2014-12-31 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.05 Å) Cite: SAICAR synthetase (Type-1) in complex with ADP/AMP To be Published
7TSQ	Structure of Enterobacter cloacae Cap2 bound to CdnD02 C-terminus, AMP state Descriptor: ADENOSINE MONOPHOSPHATE, Cap2, Cyclic AMP-AMP-GMP synthase, ... Authors: Ye, Q, Gu, Y, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D. Deposit date: 2022-01-31 Release date: 2023-01-11 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.11 Å) Cite: An E1-E2 fusion protein primes antiviral immune signalling in bacteria. Nature, 616, 2023

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