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4GMU
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BU of 4gmu by Molmil
Structure of rat cytosolic PEPCK Ld_1g in complex with oxalate and GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
Authors:Johnson, T.A, Holyoak, T.
Deposit date:2012-08-16
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function.
Biochemistry, 51, 2012
3CSY
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BU of 3csy by Molmil
Crystal structure of the trimeric prefusion Ebola virus glycoprotein in complex with a neutralizing antibody from a human survivor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein GP1, ...
Authors:Lee, J.E, Fusco, M.L, Hessell, A.J, Oswald, W.B, Burton, D.R, Saphire, E.O.
Deposit date:2008-04-10
Release date:2008-07-08
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of the Ebola virus glycoprotein bound to an antibody from a human survivor.
Nature, 454, 2008
4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
Authors:Murray, J.M, Shia, S.
Deposit date:2012-08-16
Release date:2013-06-19
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
3D5J
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BU of 3d5j by Molmil
Structure of yeast Grx2-C30S mutant with glutathionyl mixed disulfide
Descriptor: GLUTATHIONE, Glutaredoxin-2, mitochondrial
Authors:Discola, K.F, de Oliveira, M.A, Barcena, J.A, Porras, P, Padilla, C.A, Guimaraes, B.G, Netto, L.E.S.
Deposit date:2008-05-16
Release date:2008-10-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural aspects of the distinct biochemical properties of glutaredoxin 1 and glutaredoxin 2 from Saccharomyces cerevisiae.
J.Mol.Biol., 385, 2009
4GNQ
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BU of 4gnq by Molmil
Structure of rat cytosolic PEPCK Ld_3g in complex with oxalate and GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
Authors:Johnson, T.A, Holyoak, T.
Deposit date:2012-08-17
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function.
Biochemistry, 51, 2012
4GOW
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BU of 4gow by Molmil
Crystal Structure of Ca2+/CaM:Kv7.4 (KCNQ4) B helix complex
Descriptor: CALCIUM ION, Calmodulin, Potassium voltage-gated channel subfamily KQT member 4
Authors:Xu, Q, Chang, A, Tolia, A, Minor Jr, D.L.
Deposit date:2012-08-20
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a Ca(2+)/CaM:Kv7.4 (KCNQ4) B-helix complex provides insight into M current modulation.
J.Mol.Biol., 425, 2013
3CFQ
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BU of 3cfq by Molmil
Crystal structure of human wild-type transthyretin in complex with diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Transthyretin
Authors:Lima, L.-M.T.R, Foguel, D, Polikarpov, I.
Deposit date:2008-03-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of a novel ligand binding motif in the transthyretin channel.
Bioorg.Med.Chem., 18, 2010
4GRI
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BU of 4gri by Molmil
Crystal structure of a glutamyl-tRNA synthetase GluRS from Borrelia burgdorferi bound to glutamic acid and zinc
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate--tRNA ligase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-08-24
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
4GW6
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BU of 4gw6 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor
Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2012-08-31
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4GWS
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BU of 4gws by Molmil
Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase with Filled Central Cavity
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Hydrophobic Central Cavity in Fructose-1,6-bisphosphatase is Essential for the Synergism in AMP/Fructose 2,6-bisphosphate Inhibition
To be Published
4GWZ
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BU of 4gwz by Molmil
Crystal Structure of AMP Complexes of Porcine Liver Fructose-1,6-bisphosphatase with Restrained Subunit Pair Rotation
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Importance of Subunit Pair Rotation in Regulation of Tetrameric Mammalian Fructose-1,6-bisphosphatase
To be Published
4GXN
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BU of 4gxn by Molmil
Diethylphosphonate Inhibited Structure of the Proteus mirabilis Lipase
Descriptor: CALCIUM ION, DIETHYL PHOSPHONATE, Putative lipase, ...
Authors:Korman, T.P, Bowie, J.U.
Deposit date:2012-09-04
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Proteus mirabilis Lipase, a Novel Lipase from the Proteus/Psychrophilic Subfamily of Lipase Family I.1.
Plos One, 7, 2012
3CVE
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BU of 3cve by Molmil
Crystal Structure of the carboxy terminus of Homer1
Descriptor: Homer protein homolog 1
Authors:Hayashi, M.K, Stearns, M.H, Giannini, V, Xu, R.-M, Sala, C, Hayashi, Y.
Deposit date:2008-04-18
Release date:2009-03-31
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The postsynaptic density proteins Homer and Shank form a polymeric network structure.
Cell(Cambridge,Mass.), 137, 2009
4J07
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BU of 4j07 by Molmil
Crystal structure of a PROBABLE RIBOFLAVIN SYNTHASE, BETA CHAIN RIBH (6,7-dimethyl-8-ribityllumazine synthase, DMRL synthase, Lumazine synthase) from Mycobacterium leprae
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, SODIUM ION, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-30
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a Probable Riboflavin Synthase, Beta chain RIBH (6,7-dimethyl-8-ribityllumazine synthase, DMRL synthase, Lumazine synthase) from Mycobacterium leprae
TO BE PUBLISHED
3CES
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BU of 3ces by Molmil
Crystal Structure of E.coli MnmG (GidA), a Highly-Conserved tRNA Modifying Enzyme
Descriptor: tRNA uridine 5-carboxymethylaminomethyl modification enzyme gidA
Authors:Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2008-02-29
Release date:2009-03-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.412 Å)
Cite:Structure-function analysis of Escherichia coli MnmG (GidA), a highly conserved tRNA-modifying enzyme.
J.Bacteriol., 191, 2009
4IVS
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BU of 4ivs by Molmil
Crystal structure of BACE1 with its inhibitor
Descriptor: Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide
Authors:Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C.
Deposit date:2013-01-23
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.636 Å)
Cite:Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
4IW3
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BU of 4iw3 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H) in complex with elongation factor Tu (EF-Tu)
Descriptor: Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-01-23
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4IZW
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BU of 4izw by Molmil
The E41L mutant of the amidase from Nesterenkonia sp. AN1 showing covalent addition of the acetamide moiety of fluoroacetamide at the active site cysteine
Descriptor: 2-fluoroacetamide, ACETAMIDE, Amidase
Authors:Kimani, S.W, Sewell, B.T.
Deposit date:2013-01-30
Release date:2014-02-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp.
To be Published
3FUG
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BU of 3fug by Molmil
Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid
Descriptor: (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W.
Deposit date:2009-01-14
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers.
J.Med.Chem., 52, 2009
3FYA
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BU of 3fya by Molmil
Crystal Structure of an R35A mutant of the Restriction-Modification Controller Protein C.Esp1396I
Descriptor: Regulatory protein
Authors:Ball, N.J, McGeehan, J.E, Thresh, S.J, Streeter, S.D, Kneale, G.G.
Deposit date:2009-01-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the restriction-modification controller protein C.Esp1396I.
Acta Crystallogr.,Sect.D, 65, 2009
4IVJ
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BU of 4ivj by Molmil
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, I222 form
Descriptor: Non-haem bromoperoxidase BPO-A2, Matrix protein 1
Authors:Lai, Y.-T, Sawaya, M.R, Yeates, T.O.
Deposit date:2013-01-23
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (7.351 Å)
Cite:Structure and flexibility of nanoscale protein cages designed by symmetric self-assembly.
J.Am.Chem.Soc., 135, 2013
2Q04
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BU of 2q04 by Molmil
Crystal structure of acetoin utilization protein (ZP_00540088.1) from Exiguobacterium sibiricum 255-15 at 2.33 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Acetoin utilization protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-05-18
Release date:2007-06-12
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of acetoin utilization protein (ZP_00540088.1) from Exiguobacterium sibiricum 255-15 at 2.33 A resolution
To be published
4ISQ
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BU of 4isq by Molmil
Binding domain of Botulinum neurotoxin DC in complex with human synaptotagmin I
Descriptor: GLYCEROL, Neurotoxin, SULFATE ION, ...
Authors:Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P.
Deposit date:2013-01-17
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
4J3G
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BU of 4j3g by Molmil
Crystal structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis
Descriptor: 1,2-ETHANEDIOL, GCN5-related N-acetyltransferase, IMIDAZOLE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-02-05
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis
TO BE PUBLISHED
3FT7
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BU of 3ft7 by Molmil
Crystal structure of an extremely stable dimeric protein from sulfolobus islandicus
Descriptor: GLYCEROL, Uncharacterized protein ORF56
Authors:Neumann, P, Loew, C, Weininger, U, Stubbs, M.T.
Deposit date:2009-01-12
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Stability Analysis of an Extremely Stable Dimeric DNA Binding Protein from Sulfolobus islandicus
Biochemistry, 48, 2009

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