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1N75
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BU of 1n75 by Molmil
Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with ATP.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Glutamyl-tRNA synthetase, MAGNESIUM ION
Authors:Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-11-12
Release date:2003-02-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding
EMBO J., 22, 2003
1PG4
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BU of 1pg4 by Molmil
Acetyl CoA Synthetase, Salmonella enterica
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, CHLORIDE ION, ...
Authors:Gulick, A.M, Starai, V.J, Horswill, A.R, Homick, K.M, Escalante-Semerena, J.C.
Deposit date:2003-05-27
Release date:2003-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The 1.75 A Crystal Structure of Acetyl-CoA Synthetase Bound to Adenosine-5'-propylphosphate and Coenzyme A
Biochemistry, 42, 2003
1AK2
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ADENYLATE KINASE ISOENZYME-2
Descriptor: ADENYLATE KINASE ISOENZYME-2, SULFATE ION
Authors:Schlauderer, G.J, Schulz, G.E.
Deposit date:1995-12-29
Release date:1996-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The structure of bovine mitochondrial adenylate kinase: comparison with isoenzymes in other compartments.
Protein Sci., 5, 1996
1N77
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BU of 1n77 by Molmil
Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with tRNA(Glu) and ATP.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Glutamyl-tRNA synthetase, MAGNESIUM ION, ...
Authors:Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-11-13
Release date:2003-02-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding
EMBO J., 22, 2003
2YPC
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BU of 2ypc by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309S, crystallized with 2',3-(SP)-Cyclic-AMPS
Descriptor: 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
Authors:Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P.
Deposit date:2012-10-30
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.894 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
4O89
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BU of 4o89 by Molmil
Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii.
Descriptor: CITRIC ACID, RNA 3'-terminal phosphate cyclase
Authors:Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
Deposit date:2013-12-26
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of RNA 3'-phosphate cyclase bound to substrate RNA.
Rna, 20, 2014
5E9E
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BU of 5e9e by Molmil
Crystal Structure of the Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A in Complex with AMP-PNP
Descriptor: Myosin-II heavy chain kinase A, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ye, Q, Jia, Z.
Deposit date:2015-10-15
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (MHCK-A) alpha-kinase domain apoenzyme reveals a novel autoinhibited conformation.
Sci Rep, 6, 2016
7CVH
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BU of 7cvh by Molmil
Human Fructose-1,6-bisphosphatase 1 in complex with geranylgeranyl diphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-26
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structural basis for GGPP activation on the enzymatic activities FBP1
To Be Published
2XTB
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BU of 2xtb by Molmil
Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Activator
Descriptor: 4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE, ADENOSINE KINASE
Authors:Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R.
Deposit date:2010-10-05
Release date:2011-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of T. B. Rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation.
Plos Negl Trop Dis, 5, 2011
3EQ6
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BU of 3eq6 by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a ternary complex with products
Descriptor: ADENOSINE MONOPHOSPHATE, Acyl-coenzyme A synthetase ACSM2A, Butyryl Coenzyme A
Authors:Pilka, E.S, Kochan, G, Yue, W.W, Bhatia, C, Von delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-09-30
Release date:2008-10-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A
J.Mol.Biol., 388, 2009
3FCC
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BU of 3fcc by Molmil
CRYSTAL STRUCTURE OF DLTA PROTEIN IN COMPLEX WITH ATP and MAGNESIUM
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1, MAGNESIUM ION
Authors:Osman, K.T, Du, L, He, Y, Luo, Y.
Deposit date:2008-11-21
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of Bacillus cereus D-alanyl carrier protein ligase (DltA) in complex with ATP.
J.Mol.Biol., 388, 2009
3FCE
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BU of 3fce by Molmil
Crystal Structure of Bacillus cereus D-alanyl Carrier Protein Ligase DltA in Complex with ATP: Implications for Adenylation Mechanism
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, D-alanine--poly(phosphoribitol) ligase subunit 1
Authors:Osman, K.T, Du, L, He, Y, Luo, Y.
Deposit date:2008-11-21
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Bacillus cereus D-alanyl carrier protein ligase (DltA) in complex with ATP.
J.Mol.Biol., 388, 2009
1AD5
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BU of 1ad5 by Molmil
SRC FAMILY KINASE HCK-AMP-PNP COMPLEX
Descriptor: CALCIUM ION, HAEMATOPOETIC CELL KINASE HCK, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Sicheri, F, Moarefi, I, Kuriyan, J.
Deposit date:1997-02-20
Release date:1997-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the Src family tyrosine kinase Hck.
Nature, 385, 1997
3DAY
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BU of 3day by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ...
Authors:Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
7RAP
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BU of 7rap by Molmil
Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin
Descriptor: Heterogeneous-backbone analogue of lasiocepsin
Authors:Cabalteja, C.C, Horne, W.S.
Deposit date:2021-07-02
Release date:2022-05-04
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold.
Acs Chem.Biol., 17, 2022
3A9U
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BU of 3a9u by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate--CoA ligase
Descriptor: 4-coumarate--CoA ligase
Authors:Hu, Y.
Deposit date:2009-11-06
Release date:2010-09-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
2VNY
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BU of 2vny by Molmil
Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine
Descriptor: 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2VO0
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BU of 2vo0 by Molmil
Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2VNW
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BU of 2vnw by Molmil
Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine
Descriptor: 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2VO3
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BU of 2vo3 by Molmil
Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine
Descriptor: 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2VO7
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BU of 2vo7 by Molmil
Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine
Descriptor: 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
5WM6
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BU of 5wm6 by Molmil
Crystal Structure of CahJ in Complex with Benzoyl Adenylate
Descriptor: 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine, ACETATE ION, MAGNESIUM ION, ...
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
5WM4
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Crystal Structure of CahJ in Complex with 6-Methylsalicyl Adenylate
Descriptor: 9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ...
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
5WM5
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Crystal Structure of CahJ in Complex with 5-Methylsalicyl Adenylate
Descriptor: 9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ...
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
5WM3
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Crystal Structure of CahJ in Complex with Salicyl Adenylate
Descriptor: 9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ...
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018

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