7TSX
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![BU of 7tsx by Molmil](/molmil-images/mine/7tsx) | Structure of Enterobacter cloacae Cap2 bound to CdnD02 C-terminus, Apo state | Descriptor: | 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: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | An E1-E2 fusion protein primes antiviral immune signalling in bacteria. Nature, 616, 2023
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7MMZ
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4GTW
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![BU of 4gtw by Molmil](/molmil-images/mine/4gtw) | Crystal structure of mouse Enpp1 in complex with AMP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kato, K, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2012-08-29 | Release date: | 2012-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling. Proc.Natl.Acad.Sci.USA, 109, 2012
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3NX8
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![BU of 3nx8 by Molmil](/molmil-images/mine/3nx8) | human cAMP dependent protein kinase in complex with phenol | Descriptor: | PHENOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-07-13 | Release date: | 2011-07-13 | Last modified: | 2012-02-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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2Q2T
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![BU of 2q2t by Molmil](/molmil-images/mine/2q2t) | Structure of Chlorella virus DNA ligase-adenylate bound to a 5' phosphorylated nick | Descriptor: | 5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*C)-3', 5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3', 5'-D(P*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3', ... | Authors: | Lima, C.D, Nandakumar, J, Nair, P.A, Smith, P, Shuman, S. | Deposit date: | 2007-05-29 | Release date: | 2007-07-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for nick recognition by a minimal pluripotent DNA ligase. Nat.Struct.Mol.Biol., 14, 2007
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1QB8
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2W4Y
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![BU of 2w4y by Molmil](/molmil-images/mine/2w4y) | Caulobacter bacteriophage 5 - virus-like particle | Descriptor: | ADENOSINE MONOPHOSPHATE, CALCIUM ION, CAULOBACTER 5 VIRUS-LIKE PARTICLE | Authors: | Plevka, P, Kazaks, A, Dishlers, A, Liljas, L, Tars, K. | Deposit date: | 2008-12-02 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structure of Bacteriophage Phicb5 Reveals a Role of the RNA Genome and Metal Ions in Particle Stability and Assembly. J.Mol.Biol., 391, 2009
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1UA4
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![BU of 1ua4 by Molmil](/molmil-images/mine/1ua4) | Crystal Structure of an ADP-dependent Glucokinase from Pyrococcus furiosus | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP-dependent glucokinase, alpha-D-glucopyranose, ... | Authors: | Ito, S, Jeong, J.J, Yoshioka, I, Koga, S, Fushinobu, S, Shoun, H, Wakagi, T. | Deposit date: | 2003-02-27 | Release date: | 2004-02-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an ADP-dependent glucokinase from Pyrococcus furiosus: implications for a sugar-induced conformational change in ADP-dependent kinase J.Mol.Biol., 331, 2003
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3OCX
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![BU of 3ocx by Molmil](/molmil-images/mine/3ocx) | Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 2'-AMP | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | Authors: | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | Deposit date: | 2010-08-10 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase. J.Mol.Biol., 404, 2010
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6P4U
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![BU of 6p4u by Molmil](/molmil-images/mine/6p4u) | The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-05-28 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains. Curr Res Struct Biol, 2, 2020
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8RJ6
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![BU of 8rj6 by Molmil](/molmil-images/mine/8rj6) | E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis. | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Magnesium induced structural reorganization in the active site of adenylate kinase. Sci Adv, 10, 2024
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1NKS
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1XDP
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![BU of 1xdp by Molmil](/molmil-images/mine/1xdp) | Crystal Structure of the E.coli Polyphosphate Kinase in complex with AMPPNP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyphosphate kinase | Authors: | Zhu, Y, Huang, W, Lee, S.S, Xu, W. | Deposit date: | 2004-09-07 | Release date: | 2005-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a polyphosphate kinase and its implications for polyphosphate synthesis Embo Rep., 6, 2005
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1ORE
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![BU of 1ore by Molmil](/molmil-images/mine/1ore) | Human Adenine Phosphoribosyltransferase | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase, CHLORIDE ION | Authors: | Thiemann, O.H, Silva, M, Oliva, G, Silva, C.H.T.P, Iulek, J. | Deposit date: | 2003-03-12 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Three-dimensional structure of human adenine phosphoribosyltransferase and its relation to DHA-urolithiasis. Biochemistry, 43, 2004
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3PLS
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![BU of 3pls by Molmil](/molmil-images/mine/3pls) | RON in complex with ligand AMP-PNP | Descriptor: | MAGNESIUM ION, Macrophage-stimulating protein receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wang, J, Steinbacher, S, Augustin, M, Schreiner, P, Epstein, D, Mulvihill, M.J, Crew, A.P. | Deposit date: | 2010-11-15 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Crystal Structure of a Constitutively Active Mutant RON Kinase Suggests an Intramolecular Autophosphorylation Hypothesis Biochemistry, 49, 2010
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8CP4
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![BU of 8cp4 by Molmil](/molmil-images/mine/8cp4) | [4Fe-4S] cluster containing LarE in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Zecchin, P, Pecqueur, L, Golinelli-Pimpaneau, B. | Deposit date: | 2023-03-01 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE. Protein Sci., 33, 2024
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3BWJ
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![BU of 3bwj by Molmil](/molmil-images/mine/3bwj) | Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 | Descriptor: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide, cAMP-dependent protein kinase, alpha-catalytic subunit | Authors: | Lavogina, D, Koenig, N, Uri, A, Bossemeyer, D. | Deposit date: | 2008-01-09 | Release date: | 2009-02-03 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases. J.Med.Chem., 52, 2009
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3AG9
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![BU of 3ag9 by Molmil](/molmil-images/mine/3ag9) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 | Descriptor: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Pflug, A, Lavogina, D, Uri, A, Engh, R.A, Bossemeyer, D. | Deposit date: | 2010-03-26 | Release date: | 2010-09-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions. J.Mol.Biol., 403, 2010
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6OZ1
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![BU of 6oz1 by Molmil](/molmil-images/mine/6oz1) | Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Fedorchuk, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases. J.Am.Chem.Soc., 142, 2020
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6YE1
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![BU of 6ye1 by Molmil](/molmil-images/mine/6ye1) | Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV) | Descriptor: | 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid | Authors: | Scaletti, E, Strater, N. | Deposit date: | 2020-03-23 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. J.Med.Chem., 64, 2021
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6YE2
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5NX9
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![BU of 5nx9 by Molmil](/molmil-images/mine/5nx9) | Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL) in complex with its products AMP and fumarate | Descriptor: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | Authors: | Van Laer, B, Kapp, U, Soler-Lopez, M, Leonard, G, Mueller-Dieckmann, C. | Deposit date: | 2017-05-09 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep, 8, 2018
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5N6I
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![BU of 5n6i by Molmil](/molmil-images/mine/5n6i) | Crystal structure of mouse cGAS in complex with 39 bp DNA | Descriptor: | Cyclic GMP-AMP synthase, DNA (36-MER), DNA (37-MER), ... | Authors: | Andreeva, L, Kostrewa, D, Hopfner, K.-P. | Deposit date: | 2017-02-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | cGAS senses long and HMGB/TFAM-bound U-turn DNA by forming protein-DNA ladders. Nature, 549, 2017
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2R85
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![BU of 2r85 by Molmil](/molmil-images/mine/2r85) | Crystal structure of PurP from Pyrococcus furiosus complexed with AMP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | Deposit date: | 2007-09-10 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii. Biochemistry, 47, 2008
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5E7M
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![BU of 5e7m by Molmil](/molmil-images/mine/5e7m) | |