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3LN6
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BU of 3ln6 by Molmil
Crystal structure of a bifunctional glutathione synthetase from Streptococcus agalactiae
Descriptor: Glutathione biosynthesis bifunctional protein gshAB, SULFATE ION
Authors:Stout, J, Vergauwen, B, Savvides, S.N.
Deposit date:2010-02-02
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of two bifunctional gamma-Glutamate-cysteine Ligase/Glutathione synthetases (GshF) reveal a novel hybrid ATP-grasp fold
To be Published
2VR1
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BU of 2vr1 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with ATP analog, ADPCF2P.
Descriptor: BIOTIN CARBOXYLASE, CHLORIDE ION, PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Mochalkin, I, Waldrop, G.L.
Deposit date:2008-03-24
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
4NM3
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BU of 4nm3 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM0
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BU of 4nm0 by Molmil
Crystal structure of peptide inhibitor-free GSK-3/Axin complex
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
1GLV
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BU of 1glv by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE GLUTATHIONE SYNTHETASE FROM ESCHERICHIA COLI B AT 2.0 ANGSTROMS RESOLUTION
Descriptor: GLUTATHIONE SYNTHASE
Authors:Yamaguchi, H, Kato, H, Tanaka, T, Katsube, Y.
Deposit date:1993-03-12
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Three-dimensional structure of the glutathione synthetase from Escherichia coli B at 2.0 A resolution.
J.Mol.Biol., 229, 1993
5K3V
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BU of 5k3v by Molmil
apo-PDX1.3 (Arabidopsis)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ...
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Fitzpatrick, T.B.
Deposit date:2016-05-20
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural definition of the lysine swing in Arabidopsis thaliana PDX1: Intermediate channeling facilitating vitamin B6 biosynthesis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2Z
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BU of 5k2z by Molmil
PDX1.3-adduct (Arabidopsis)
Descriptor: 1,2-ETHANEDIOL, 2-azanylpenta-1,4-dien-3-one, CHLORIDE ION, ...
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Fitzpatrick, T.B.
Deposit date:2016-05-19
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural definition of the lysine swing in Arabidopsis thaliana PDX1: Intermediate channeling facilitating vitamin B6 biosynthesis.
Proc.Natl.Acad.Sci.USA, 113, 2016
2YAK
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BU of 2yak by Molmil
Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV)
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4
Authors:Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E.
Deposit date:2011-02-23
Release date:2011-04-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
5JM7
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BU of 5jm7 by Molmil
The structure of aerobactin synthetase IucA from a hypervirulent pathotype of Klebsiella pneumoniae
Descriptor: Aerobactin synthase IucA, SULFATE ION
Authors:Drake, E.J, Bailey, D.C, Gulick, A.M.
Deposit date:2016-04-28
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Characterization of Aerobactin Synthetase IucA from a Hypervirulent Pathotype of Klebsiella pneumoniae.
Biochemistry, 55, 2016
5FBU
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BU of 5fbu by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with rifampin-phosphate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphoenolpyruvate synthase, ...
Authors:Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-14
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
2PVR
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BU of 2pvr by Molmil
Crystal structure of the catalytic subunit of protein kinase CK2 (C-terminal deletion mutant 1-335) in complex with two sulfate ions
Descriptor: Casein kinase II subunit alpha, catalytic subunit, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Niefind, K, Yde, C.W, Ermakova, I, Issinger, O.-G.
Deposit date:2007-05-10
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Evolved to Be Active: Sulfate Ions Define Substrate Recognition Sites of CK2alpha and Emphasise its Exceptional Role within the CMGC Family of Eukaryotic Protein Kinases
J.Mol.Biol., 370, 2007
4PTC
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BU of 4ptc by Molmil
Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b
Descriptor: 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4PTE
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BU of 4pte by Molmil
Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b
Descriptor: Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4PTG
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BU of 4ptg by Molmil
Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b
Descriptor: 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4NU1
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BU of 4nu1 by Molmil
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-12-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
5FBT
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BU of 5fbt by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with rifampin
Descriptor: CHLORIDE ION, Phosphoenolpyruvate synthase, Rifampin
Authors:Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-14
Release date:2015-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
5UGH
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BU of 5ugh by Molmil
Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366
Descriptor: 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2
Authors:Kaiser, S.E, Feng, J, Stewart, A.E.
Deposit date:2017-01-08
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.062 Å)
Cite:Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A.
Nat. Chem. Biol., 13, 2017
7AM2
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BU of 7am2 by Molmil
Intermediate assembly of the Large subunit from Leishmania major mitochondrial ribosome
Descriptor: 50S ribosomal protein L13-like protein, ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ...
Authors:Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y.
Deposit date:2020-10-07
Release date:2021-04-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
5FBS
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BU of 5fbs by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with ADP and magnesium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoenolpyruvate synthase
Authors:Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-14
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
4F32
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BU of 4f32 by Molmil
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase II from Burkholderia vietnamiensis in complex with platencin
Descriptor: 1,2-ETHANEDIOL, 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-08
Release date:2012-05-23
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
6YAR
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BU of 6yar by Molmil
Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of AppCp
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ...
Authors:Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V.
Deposit date:2020-03-12
Release date:2021-02-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
6YAY
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BU of 6yay by Molmil
Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of ADP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ...
Authors:Abidi, W, Caleechurn, M, Zouhir, S, Roche, S, Krasteva, P.V.
Deposit date:2020-03-14
Release date:2021-02-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
6YB3
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BU of 6yb3 by Molmil
Crystal structure of a native BcsRQ complex purified and crystallized in the absence of nucleotide
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ...
Authors:Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V.
Deposit date:2020-03-15
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
6YB5
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BU of 6yb5 by Molmil
Orthorhombic crystal structure of a native BcsRQ complex crystallized in the presence of ADP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ...
Authors:Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V.
Deposit date:2020-03-15
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
7U36
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BU of 7u36 by Molmil
Crystal structure of human GSK3B in complex with ARN1484
Descriptor: (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta
Authors:Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A.
Deposit date:2022-02-25
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays.
Int J Mol Sci, 23, 2022

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