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2DCL
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BU of 2dcl by Molmil
Structure of PH1503 protein from Pyrococcus Horikoshii OT3
Descriptor: ADENOSINE MONOPHOSPHATE, Hypothetical UPF0166 protein PH1503
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-08
Release date:2006-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of PH1503 protein from Pyrococcus Horikoshii OT3
To be Published
3TSU
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BU of 3tsu by Molmil
Crystal structure of E. coli HypF with AMP-PNP and carbamoyl phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3IT1
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BU of 3it1 by Molmil
Crystal Structure Francisella tularensis histidine acid phosphatase complexed with L(+)-tartrate
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, ACETATE ION, Acid phosphatase, ...
Authors:Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J.
Deposit date:2009-08-27
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.691 Å)
Cite:Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition.
J.Mol.Biol., 394, 2009
3IT0
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BU of 3it0 by Molmil
Crystal Structure Francisella tularensis histidine acid phosphatase complexed with phosphate
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Acid phosphatase, PENTAETHYLENE GLYCOL, ...
Authors:Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J.
Deposit date:2009-08-27
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition.
J.Mol.Biol., 394, 2009
3IT2
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BU of 3it2 by Molmil
Crystal structure of ligand-free Francisella tularensis histidine acid phosphatase
Descriptor: ACETATE ION, Acid phosphatase
Authors:Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J.
Deposit date:2009-08-27
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.838 Å)
Cite:Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition.
J.Mol.Biol., 394, 2009
4INC
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BU of 4inc by Molmil
Human Histidine Triad Nucleotide Binding Protein 2
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 2, mitochondrial
Authors:Maize, K.M, Wagner, C.R, Finzel, B.C.
Deposit date:2013-01-04
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural characterization of human histidine triad nucleotide-binding protein 2, a member of the histidine triad superfamily.
Febs J., 280, 2013
3EBO
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BU of 3ebo by Molmil
Glycogen Phosphorylase b/Chrysin complex
Descriptor: Glycogen phosphorylase, muscle form, chrysin
Authors:Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M.
Deposit date:2008-08-28
Release date:2009-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Food Chem.Toxicol., 61, 2013
3EBP
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BU of 3ebp by Molmil
Glycogen Phosphorylase b/flavopiridol complex
Descriptor: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Glycogen phosphorylase, muscle form
Authors:Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M.
Deposit date:2008-08-28
Release date:2009-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Food Chem.Toxicol., 61, 2013
7N12
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BU of 7n12 by Molmil
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
Authors:Kalthoff, E, Schmeing, M.
Deposit date:2021-05-26
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
6XLE
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BU of 6xle by Molmil
Full-length Hsc82 in complex with two Aha1 CTD in the presence of AMP-PNP
Descriptor: ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ...
Authors:Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A.
Deposit date:2020-06-28
Release date:2021-06-30
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1
To Be Published
6YJA
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BU of 6yja by Molmil
DarB fom B. subtilis in complex with c-di-AMP
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, CALCIUM ION, CBS domain-containing protein YkuL, ...
Authors:Heidemann, J.L, Neumann, P, Ficner, R.
Deposit date:2020-04-02
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DarB from B. subtilis
To Be Published
6BG2
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BU of 6bg2 by Molmil
Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in AMP-PNP bound state
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cGMP-dependent protein kinase 1
Authors:Qin, L, Sankaran, B, Kim, C.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain
to be published
4N08
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BU of 4n08 by Molmil
Structure of Trypanosoma brucei brucei adenosine kinase (apo)
Descriptor: Adenosine kinase
Authors:Timm, J, Wilson, K.S.
Deposit date:2013-10-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of adenosine kinase from Trypanosoma brucei brucei.
Acta Crystallogr F Struct Biol Commun, 70, 2014
6B42
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BU of 6b42 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) 2'-deoxy-AMP complex at 1.13A resolution
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
4KR2
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BU of 4kr2 by Molmil
Glycyl-tRNA synthetase in complex with tRNA-Gly
Descriptor: ADENOSINE MONOPHOSPHATE, Gly-tRNA-CCC, Glycine--tRNA ligase
Authors:Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W.
Deposit date:2013-05-16
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014
5XOE
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BU of 5xoe by Molmil
Crystal Structure of the apo Staphylococcus aureus phosphofructokinase
Descriptor: ATP-dependent 6-phosphofructokinase
Authors:Wang, C, Tian, T, Zang, J.
Deposit date:2017-05-27
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ9
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BU of 5xz9 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, GLYCEROL
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-12
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ7
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BU of 5xz7 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-11
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZA
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BU of 5xza by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent 6-phosphofructokinase, CITRATE ANION, ...
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-12
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
7ALD
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BU of 7ald by Molmil
Antimicrobial peptide Capitellacin from polychaeta Capitella teleta
Descriptor: BRICHOS domain-containing protein
Authors:Tsarev, A.V, Reznikova, O.V, Shenkarev, Z.O.
Deposit date:2020-10-06
Release date:2020-12-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure Elucidation and Functional Studies of a Novel beta-hairpin Antimicrobial Peptide from the Marine Polychaeta Capitella teleta .
Mar Drugs, 18, 2020
5XZ8
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BU of 5xz8 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate (the ATP analog) and fructose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, GLYCEROL, ...
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-11
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ6
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BU of 5xz6 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Descriptor: ATP-dependent 6-phosphofructokinase, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-11
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
2I6A
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BU of 2i6a by Molmil
Human Adenosine Kinase in Complex With 5'-Deoxy-5-Iodotubercidin
Descriptor: 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, Adenosine kinase
Authors:Muchmore, S.W.
Deposit date:2006-08-28
Release date:2007-01-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes.
J.Med.Chem., 49, 2006
6NT9
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BU of 6nt9 by Molmil
Cryo-EM structure of the complex between human TBK1 and chicken STING
Descriptor: Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
Authors:Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X.
Deposit date:2019-01-28
Release date:2019-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of STING binding with and phosphorylation by TBK1.
Nature, 567, 2019
1UKY
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BU of 1uky by Molmil
SUBSTRATE SPECIFICITY AND ASSEMBLY OF CATALYTIC CENTER DERIVED FROM TWO STRUCTURES OF LIGATED URIDYLATE KINASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, URIDYLATE KINASE
Authors:Mueller-Dieckmann, H.-J, Schulz, G.E.
Deposit date:1994-07-13
Release date:1995-01-26
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Substrate specificity and assembly of the catalytic center derived from two structures of ligated uridylate kinase.
J.Mol.Biol., 246, 1995

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