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8C4M
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BU of 8c4m by Molmil
CdaA-Adenosine complex
Descriptor: ADENOSINE, CHLORIDE ION, Diadenylate cyclase
Authors:Neumann, P, Ficner, R.
Deposit date:2023-01-04
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor.
Microlife, 4, 2023
8C4P
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BU of 8c4p by Molmil
CdaA-compound 7 complex
Descriptor: CHLORIDE ION, Diadenylate cyclase, ~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide
Authors:Neumann, P, Ficner, R.
Deposit date:2023-01-04
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor.
Microlife, 4, 2023
6L5M
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BU of 6l5m by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
6M2U
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BU of 6m2u by Molmil
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-chloro-1,3-thiazole-5-carboxylate-AMP
Descriptor: 2-chloranyl-1,3-thiazole-5-carboxylic acid, ADENOSINE MONOPHOSPHATE, Benzoate-coenzyme A ligase
Authors:Li, T.L, Adhikari, K.
Deposit date:2020-02-29
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Chemoenzymatic Synthesis and Biological Evaluation for Bioactive Molecules Derived from Bacterial Benzoyl Coenzyme A Ligase and Plant Type III Polyketide Synthase.
Biomolecules, 10, 2020
2E41
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BU of 2e41 by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with the Reaction Product Analog Biotinol-5'-AMP, Mutations R48A and K111A
Descriptor: ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE, biotin--[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Matsuura, Y, Bagautdinova, S, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-12-01
Release date:2007-06-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Protein biotinylation visualized by a complex structure of biotin protein ligase with a substrate
J.Biol.Chem., 283, 2008
5X0K
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BU of 5x0k by Molmil
Free serine kinase (E30Q mutant) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Free serine kinase
Authors:Nagata, R, Fujihashi, M, Miki, K.
Deposit date:2017-01-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Study on the Reaction Mechanism of a Free Serine Kinase Involved in Cysteine Biosynthesis
ACS Chem. Biol., 12, 2017
5X0B
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BU of 5x0b by Molmil
Free serine kinase in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Free serine kinase
Authors:Nagata, R, Fujihashi, M, Miki, K.
Deposit date:2017-01-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Study on the Reaction Mechanism of a Free Serine Kinase Involved in Cysteine Biosynthesis
ACS Chem. Biol., 12, 2017
5X0E
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Free serine kinase (E30A mutant) in complex with phosphoserine and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Free serine kinase, MAGNESIUM ION, ...
Authors:Nagata, R, Fujihashi, M, Miki, K.
Deposit date:2017-01-20
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Study on the Reaction Mechanism of a Free Serine Kinase Involved in Cysteine Biosynthesis
ACS Chem. Biol., 12, 2017
7D2F
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BU of 7d2f by Molmil
Lp major histidine acid phosphatase mutant D281A/5'-AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Major acid phosphatase
Authors:Guo, Y, Teng, Y.
Deposit date:2020-09-16
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 540, 2021
6LP0
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BU of 6lp0 by Molmil
crystal structure of alpha-momorcharin in complex with AMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, Ribosome-inactivating protein momordin I
Authors:Fan, X, Jin, T.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.519 Å)
Cite:Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
2DSD
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BU of 2dsd by Molmil
Crystal structure of human ADP-ribose pyrophosphatase NUDT5 in complex with magnesium and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADP-sugar pyrophosphatase, MAGNESIUM ION
Authors:Zha, M, Zhong, C, Ding, J.
Deposit date:2006-06-28
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of Human NUDT5 Reveal Insights into the Structural Basis of the Substrate Specificity
J.Mol.Biol., 364, 2006
6E8O
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BU of 6e8o by Molmil
Crystal structure of aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with AMP
Descriptor: 2,3-dihydroxybenzoate-AMP ligase, ADENOSINE MONOPHOSPHATE, GLYCEROL, ...
Authors:Bruner, S.D, Zagulyaeva, A.A.
Deposit date:2018-07-30
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 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
7DK8
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BU of 7dk8 by Molmil
Crystal structure of OsGH3-8 with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Probable indole-3-acetic acid-amido synthetase GH3.8
Authors:Zhang, Y.K, Xu, G.L, Ming, Z.H.
Deposit date:2020-11-23
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of the acyl acid amido synthetase GH3-8 from Oryza sativa.
Biochem.Biophys.Res.Commun., 534, 2021
6EH2
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BU of 6eh2 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6ESA
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BU of 6esa by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and AMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
4WF2
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BU of 4wf2 by Molmil
Structure of E. coli BirA G142A bound to biotinol-5'-AMP
Descriptor: ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE, Bifunctional ligase/repressor BirA
Authors:Eginton, C, Beckett, D, Wade, H.
Deposit date:2014-09-11
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Allosteric Coupling via Distant Disorder-to-Order Transitions.
J.Mol.Biol., 427, 2015
4S1C
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BU of 4s1c by Molmil
Crystal Structure of L. monocytogenes phosphodiesterase PgpH HD domain
Descriptor: FE (III) ION, Lmo1466 protein
Authors:Luo, S, Tong, L.
Deposit date:2015-01-12
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:An HD-domain phosphodiesterase mediates cooperative hydrolysis of c-di-AMP to affect bacterial growth and virulence.
Proc.Natl.Acad.Sci.USA, 112, 2015
7CTV
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BU of 7ctv by Molmil
Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain D489A mutant in complex with AMP-PNP and magnesium
Descriptor: Leucine-rich repeat receptor-like serine/threonine/tyrosine-protein kinase SOBIR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wei, X, Wang, Y.L, Gu, T.Y, Xin, F.J.
Deposit date:2020-08-20
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8856113 Å)
Cite:Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain D489A mutant in complex with AMP-PNP and magnesium
To Be Published
7CTX
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BU of 7ctx by Molmil
Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain(residues 388-401 deleted) in complex with AMP-PNP and magnesium
Descriptor: Leucine-rich repeat receptor-like serine/threonine/tyrosine-protein kinase SOBIR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wei, X, Wang, Y.L, Gu, T.Y, Xin, F.J.
Deposit date:2020-08-20
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain(residues 388-401 deleted) in complex with AMP-PNP and magnesium
To Be Published
4QSL
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BU of 4qsl by Molmil
Crystal Structure of Listeria Monocytogenes Pyruvate Carboxylase
Descriptor: Pyruvate carboxylase
Authors:Choi, P.H, Tong, L.
Deposit date:2014-07-04
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
8IK3
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BU of 8ik3 by Molmil
Structure of Stimulator of interferon genes/ligand complex
Descriptor: Stimulator of interferon genes protein,Immune protein Tsi3, cGAMP
Authors:Lu, D.F, Shang, G.J.
Deposit date:2023-02-28
Release date:2023-05-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
5VYW
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BU of 5vyw by Molmil
Crystal structure of Lactococcus lactis pyruvate carboxylase
Descriptor: BIOTIN, MANGANESE (II) ION, Pyruvate carboxylase
Authors:Choi, P.H, Tong, L.
Deposit date:2017-05-26
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5F29
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BU of 5f29 by Molmil
Structure of RCK domain with cda
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Na+/H+ antiporter-like protein
Authors:Chin, K.H.
Deposit date:2015-12-01
Release date:2017-02-01
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:Structural Insights into the Distinct Binding Mode of Cyclic Di-AMP with SaCpaA_RCK.
Biochemistry, 54, 2015
4YP1
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BU of 4yp1 by Molmil
Misting with CDA
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon genes protein
Authors:Chin, K.H, Chen, C.K, Tu, Z.I, Chou, S.H.
Deposit date:2015-03-12
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Insights into the Distinct Binding Mode of Cyclic Di-AMP with SaCpaA_RCK.
Biochemistry, 54, 2015
6EA9
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BU of 6ea9 by Molmil
Structure of VACV Poxin in post-reactive state with Gp[2'-5']Ap[3']
Descriptor: 2',5'-GpAp, Protein B2
Authors:Eaglesham, J.B, Kranzusch, P.J.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Viral and metazoan poxins are cGAMP-specific nucleases that restrict cGAS-STING signalling.
Nature, 566, 2019

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PDB entries from 2024-08-28

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