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4A5B	Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1) Descriptor: NUCLEOSIDE-TRIPHOSPHATASE 2 Authors: Krug, U, Zebisch, M, Strater, N. Deposit date: 2011-10-24 Release date: 2011-11-30 Last modified: 2013-12-25 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Structural Insight Into Activation Mechanism of Toxoplasma Gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction. J.Biol.Chem., 287, 2012
6EMA	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, beta-D-ribopyranose, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-10-01 Release date: 2018-10-10 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
6ERT	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 and RKp117 Descriptor: [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-10-19 Release date: 2018-10-31 Last modified: 2019-10-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
6ERV	Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor Authors: Mueller, J.M, Heine, A, Klebe, G. Deposit date: 2017-10-19 Release date: 2018-10-31 Last modified: 2019-05-15 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
3SPD	Crystal structure of aprataxin ortholog Hnt3 in complex with DNA Descriptor: Aprataxin-like protein, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*GP*AP*G)-3'), DNA (5'-D(*TP*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*AP*C)-3'), ... Authors: Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. Deposit date: 2011-07-01 Release date: 2011-10-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.912 Å) Cite: Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
3GPB	COMPARISON OF THE BINDING OF GLUCOSE AND GLUCOSE-1-PHOSPHATE DERIVATIVES TO T-STATE GLYCOGEN PHOSPHORYLASE B Descriptor: 1-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE Authors: Martin, J.L, Johnson, L.N. Deposit date: 1990-06-04 Release date: 1992-10-15 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Comparison of the binding of glucose and glucose 1-phosphate derivatives to T-state glycogen phosphorylase b. Biochemistry, 29, 1990
3IDH	Human pancreatic glucokinase in complex with glucose Descriptor: Glucokinase, POTASSIUM ION, alpha-D-glucopyranose Authors: Petit, P, Gluais, L, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. Deposit date: 2009-07-21 Release date: 2010-07-28 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.14 Å) Cite: The active conformation of human glucokinase is not altered by allosteric activators Acta Crystallogr.,Sect.D, 67, 2011
6SHN	Escherichia coli AGPase in complex with FBP. Symmetry C1 Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase Authors: Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. Deposit date: 2019-08-07 Release date: 2020-02-05 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM. Curr Res Struct Biol, 2, 2020
6SHJ	Escherichia coli AGPase in complex with FBP. Symmetry applied C2 Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase Authors: Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. Deposit date: 2019-08-07 Release date: 2020-02-05 Last modified: 2024-05-22 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM. Curr Res Struct Biol, 2, 2020
2I5S	Crystal structure of onconase with bound nucleic acid Descriptor: 5'-D(*A*(DU)P*GP*A)-3', P-30 protein Authors: Bae, E, Lee, J.E, Raines, R.T, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) Deposit date: 2006-08-25 Release date: 2006-09-05 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural basis for catalysis by onconase. J.Mol.Biol., 375, 2008
6ZQS	Crystal structure of double-phosphorylated p38alpha with ATF2(83-102) Descriptor: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 14 Authors: Kirsch, K, Sok, P, Poti, A.L, Remenyi, A. Deposit date: 2020-07-10 Release date: 2020-11-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38. Nat Commun, 11, 2020
4ITR	Crystal Structure of IbpAFic2-H3717A in complex with adenylylated Cdc42 Descriptor: ADENOSINE MONOPHOSPHATE, Adenosine monophosphate-protein transferase and cysteine protease IbpA, Cell division control protein 42 homolog, ... Authors: Xiao, J, Dixon, J.E. Deposit date: 2013-01-18 Release date: 2013-02-20 Last modified: 2023-06-07 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of Fic-mediated adenylylation. Nat.Struct.Mol.Biol., 17, 2010
2P9U	Crystal structure of bovine Arp2/3 complex co-crystallized with AMP-PNP and calcium Descriptor: Actin-like protein 2, Actin-like protein 3, Actin-related protein 2/3 complex subunit 1B, ... Authors: Nolen, B.J, Pollard, T.D. Deposit date: 2007-03-26 Release date: 2007-05-29 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Insights into the Influence of Nucleotides on Actin Family Proteins from Seven Structures of Arp2/3 Complex. Mol.Cell, 26, 2007
6E97	Crystal structure of the aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with DHB-adenylate Descriptor: 2,3-dihydroxybenzoate-AMP ligase, 5'-O-[(S)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine, GLYCEROL, ... Authors: Bruner, S.D, Zagulyaeva, A.A. Deposit date: 2018-07-31 Release date: 2019-08-21 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Implication of MbtH-like proteins in crystallization of the independent NRPS A domains. Crystal structure of FscC: supporting rationale for revised mechanism of freestanding aryl acid adenylating enzymes To Be Published
1IWE	IMP Complex of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Descriptor: ACETATE ION, Adenylosuccinate Synthetase, INOSINIC ACID, ... Authors: Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. Deposit date: 2002-05-04 Release date: 2002-08-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: IMP, GTP, and 6-phosphoryl-IMP complexes of recombinant mouse muscle adenylosuccinate synthetase. J.Biol.Chem., 277, 2002
1J4B	Recombinant Mouse-Muscle Adenylosuccinate Synthetase Descriptor: adenylosuccinate synthetase Authors: Iancu, C.V, Borza, T, Choe, J.Y, Fromm, H.J, Honzatko, R.B. Deposit date: 2001-09-07 Release date: 2001-11-21 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Recombinant mouse muscle adenylosuccinate synthetase: overexpression, kinetics, and crystal structure. J.Biol.Chem., 276, 2001
3CEJ	Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865 Descriptor: 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid, Glycogen phosphorylase, liver form, ... Authors: Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. Deposit date: 2008-02-29 Release date: 2008-05-27 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
7AI6	MutS in mismatch bound state Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein MutS Authors: Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. Deposit date: 2020-09-26 Release date: 2021-03-31 Last modified: 2024-05-01 Method: ELECTRON MICROSCOPY (6.9 Å) Cite: The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
1XU4	ATPASE IN COMPLEX WITH AMP-PNP, MAGNESIUM AND POTASSIUM CO-F Descriptor: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y. Deposit date: 2004-10-25 Release date: 2004-11-16 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of an ATPase-active form of Rad51 homolog from Methanococcus voltae. Insights into potassium dependence J.Biol.Chem., 280, 2005
6F7U	Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase Descriptor: Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER Authors: Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H. Deposit date: 2017-12-12 Release date: 2018-03-14 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Molecular mechanism of ATP versus GTP selectivity of adenylate kinase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7C0M	Human cGAS-nucleosome complex Descriptor: Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1-B/E, ... Authors: Kujirai, T, Zierhut, C, Takizawa, Y, Kim, R, Negishi, L, Uruma, N, Hirai, S, Funabiki, H, Kurumizaka, H. Deposit date: 2020-05-01 Release date: 2020-09-16 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Structural basis for the inhibition of cGAS by nucleosomes. Science, 370, 2020
3CEM	Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423 Descriptor: 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ... Authors: Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. Deposit date: 2008-02-29 Release date: 2008-05-27 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
2YOZ	Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, crystallized with 2'-AMPS Descriptor: 2'-O-(sulfidophosphinato)adenosine, 2,3-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, ACETATE ION, ... Authors: Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P. Deposit date: 2012-10-29 Release date: 2013-07-10 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family J.Mol.Biol., 425, 2013
3CEH	Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ... Authors: Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. Deposit date: 2008-02-29 Release date: 2008-05-27 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
1KTG	Crystal Structure of a C. elegans Ap4A Hydrolase Binary Complex Descriptor: ADENOSINE MONOPHOSPHATE, Diadenosine Tetraphosphate Hydrolase, HYDROXIDE ION, ... Authors: Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. Deposit date: 2002-01-16 Release date: 2002-05-08 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms Structure, 10, 2002

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