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1GSE
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BU of 1gse by Molmil
GLUTATHIONE TRANSFERASE A1-1 COMPLEXED WITH AN ETHACRYNIC ACID GLUTATHIONE CONJUGATE (MUTANT R15K)
Descriptor: BETA-MERCAPTOETHANOL, ETHACRYNIC ACID, GLUTATHIONE, ...
Authors:Cameron, A.D, Jones, T.A.
Deposit date:1995-06-09
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of human alpha-class glutathione transferase A1-1 in the apo-form and in complexes with ethacrynic acid and its glutathione conjugate.
Structure, 3, 1995
2V0I
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BU of 2v0i by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
Descriptor: BIFUNCTIONAL PROTEIN GLMU, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
Deposit date:2007-05-14
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
4DA6
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BU of 4da6 by Molmil
Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with ganciclovir
Descriptor: 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Martins, N.H, Giuseppe, P.O, Meza, A.N, Murakami, M.T.
Deposit date:2012-01-12
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
3MQH
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BU of 3mqh by Molmil
crystal structure of the 3-N-acetyl transferase WlbB from Bordetella petrii in complex with CoA and UDP-3-amino-2-acetamido-2,3-dideoxy glucuronic acid
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:thoden, J.B, holden, H.M.
Deposit date:2010-04-28
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Molecular structure of WlbB, a bacterial N-acetyltransferase involved in the biosynthesis of 2,3-diacetamido-2,3-dideoxy-D-mannuronic acid .
Biochemistry, 49, 2010
7H6H
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BU of 7h6h by Molmil
THE 1.94 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]-3-[[methoxycarbonyl(methyl)amino]methyl]indole-2-carboxylic acid
Descriptor: 1-[(7-fluoronaphthalen-1-yl)methyl]-3-{[(methoxycarbonyl)(methyl)amino]methyl}-1H-indole-2-carboxylic acid, Cathepsin G, SULFATE ION, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
3A3H
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BU of 3a3h by Molmil
CELLOTRIOSE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHERANS AT 1.6 A RESOLUTION
Descriptor: ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M.
Deposit date:1998-02-01
Release date:1999-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
4KE6
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BU of 4ke6 by Molmil
Crystal structure D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in complex with 1-rac-lauroyl glycerol
Descriptor: (2R)-2,3-dihydroxypropyl dodecanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase
Authors:Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M.
Deposit date:2013-04-25
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase.
J.Biol.Chem., 288, 2013
4HAY
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BU of 4hay by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K548E,K579Q)-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
3Q2I
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BU of 3q2i by Molmil
Crystal structure of the WlbA dehydrognase from Chromobactrium violaceum in complex with NADH and UDP-GlcNAcA at 1.50 A resolution
Descriptor: (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, ...
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-12-20
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and Structural Characterization of WlbA from Bordetella pertussis and Chromobacterium violaceum: Enzymes Required for the Biosynthesis of 2,3-Diacetamido-2,3-dideoxy-d-mannuronic Acid.
Biochemistry, 50, 2011
4HC6
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BU of 4hc6 by Molmil
Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
Descriptor: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Kim, H.-B, Han, G.-W, Hung, L.-W, Terwilliger, C.T, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2012-09-28
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
To be Published
4HCF
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BU of 4hcf by Molmil
Crystal Structure of Uncharacterized Cupredoxin-like Domain Protein Cupredoxin_1 with Copper Bound from Bacillus anthracis
Descriptor: COPPER (II) ION, Cupredoxin 1, SULFATE ION
Authors:Kim, Y, Maltseva, N, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-09-29
Release date:2012-10-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Crystal Structure of Uncharacterized Cupredoxin-like Domain Protein Cupredoxin_1 with Copper Bound from Bacillus anthracis
To be Published
3VVH
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BU of 3vvh by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Kudo, N, Kato, R, Wakatsuki, S.
Deposit date:2012-07-24
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP
To be Published
5QK5
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BU of 5qk5 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1267773786
Descriptor: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
Authors:Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
Deposit date:2018-10-31
Release date:2018-12-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
1WEM
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BU of 1wem by Molmil
Solution structure of PHD domain in death inducer-obliterator 1(DIO-1)
Descriptor: Death associated transcription factor 1, ZINC ION
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-25
Release date:2004-11-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of PHD domain in death inducer-obliterator 1(DIO-1)
To be Published
3PO0
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BU of 3po0 by Molmil
Crystal structure of SAMP1 from Haloferax volcanii
Descriptor: ACETATE ION, CADMIUM ION, MAGNESIUM ION, ...
Authors:Jeong, Y.J, Jeong, B.-C, Song, H.K.
Deposit date:2010-11-21
Release date:2011-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of ubiquitin-like small archaeal modifier protein 1 (SAMP1) from Haloferax volcanii.
Biochem.Biophys.Res.Commun., 405, 2011
1X63
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BU of 1x63 by Molmil
Solution structure of the second LIM domain of skeletal muscle LIM protein 1
Descriptor: Skeletal muscle LIM-protein 1, ZINC ION
Authors:Qin, X.R, Nagashima, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-17
Release date:2005-11-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the second LIM domain of skeletal muscle LIM protein 1
To be Published
5E97
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BU of 5e97 by Molmil
Glycoside Hydrolase ligand structure 1
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-14
Release date:2015-11-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
3M7W
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BU of 3m7w by Molmil
Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Covalent Complex with Dehydroquinate
Descriptor: 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, GLYCEROL
Authors:Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-03-17
Release date:2010-04-07
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
5QP1
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BU of 5qp1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1190363272
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:PanDDA analysis group deposition
To Be Published
4FPD
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BU of 4fpd by Molmil
Deprotonation of D96 in bacteriorhodopsin opens the proton uptake pathway
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, CHLORIDE ION, ...
Authors:Wang, T, Sessions, A.O, Lunde, C.S, Rouani, S, Glaeser, R.M, Facciotti, M.T, Duan, Y.
Deposit date:2012-06-22
Release date:2013-02-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Deprotonation of d96 in bacteriorhodopsin opens the proton uptake pathway.
Structure, 21, 2013
3A32
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BU of 3a32 by Molmil
Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix
Descriptor: Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION
Authors:Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A.
Deposit date:2009-06-07
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain
J.Mol.Biol., 394, 2009
4K6T
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BU of 4k6t by Molmil
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385
Descriptor: 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, ACETATE ION, ...
Authors:Stehle, T, Bauer, J.
Deposit date:2013-04-16
Release date:2014-10-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
2WC3
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BU of 2wc3 by Molmil
Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine
Descriptor: (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, BETA-GLUCOSIDASE A
Authors:Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring.
Org.Biomol.Chem., 7, 2009
3COP
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BU of 3cop by Molmil
Crystal Structure of E.coli GS mutant E377A in complex with ADP and acceptor analogue HEPPSO
Descriptor: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase, ...
Authors:Sheng, F, Geiger, J.H.
Deposit date:2008-03-28
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
1LBV
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BU of 1lbv by Molmil
Crystal Structure of apo-form (P21) of dual activity FBPase/IMPase (AF2372) from Archaeoglobus fulgidus
Descriptor: fructose 1,6-bisphosphatase/inositol monophosphatase
Authors:Stieglitz, K.A, Johnson, K.A, Yang, H, Roberts, M.F, Seaton, B.A, Head, J.F, Stec, B.
Deposit date:2002-04-04
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
J.Biol.Chem., 277, 2002

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數據於2025-10-08公開中

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