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5PX1
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PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 25)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PXJ
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BU of 5pxj by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 43)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PY9
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BU of 5py9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 69)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PXW
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BU of 5pxw by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 56)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3NGW
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BU of 3ngw by Molmil
Crystal Structure of Molybdopterin-guanine dinucleotide biosynthesis protein A from Archaeoglobus fulgidus, Northeast Structural Genomics Consortium Target GR189
分子名称: CALCIUM ION, Molybdopterin-guanine dinucleotide biosynthesis protein A (MobA)
著者Forouhar, F, Neely, H, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-13
公開日2010-08-11
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Northeast Structural Genomics Consortium Target GR189
To be Published
4H8Z
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BU of 4h8z by Molmil
Radiation damage study of lysozyme - 0.21 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1998 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
1Y0H
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BU of 1y0h by Molmil
Structure of Rv0793 from Mycobacterium tuberculosis
分子名称: ACETATE ION, hypothetical protein Rv0793
著者Lemieux, M.J, Ference, C, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2004-11-15
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of Rv0793, a hypothetical monooxygenase from M. tuberculosis
J.STRUCT.FUNCT.GENOM., 6, 2005
1Y71
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BU of 1y71 by Molmil
X-ray crystal structure of kinase-associated protein B from Bacillus cereus
分子名称: Kinase-associated protein B
著者Osipiuk, J, Zhou, M, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-12-07
公開日2005-01-18
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-ray crystal structure of kinase-associated protein B from Bacillus cereus
To be Published
4I74
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BU of 4i74 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312 and allosterically inhibited by a Ni2+ ion
分子名称: (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Giannese, F, Degano, M.
登録日2012-11-30
公開日2013-08-07
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
4HVJ
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BU of 4hvj by Molmil
Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-11-06
公開日2012-11-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis Rv2179c Protein Establishes a New Exoribonuclease Family with Broad Phylogenetic Distribution.
J.Biol.Chem., 289, 2014
4HVU
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BU of 4hvu by Molmil
Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
分子名称: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2012-11-07
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
1XPK
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BU of 1xpk by Molmil
CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS HMG-COA SYNTHASE WITH HMG-CoA AND WITH ACETOACETYL-COA AND ACETYLATED CYSTEINE
分子名称: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, ...
著者Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T.
登録日2004-10-08
公開日2004-11-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
1XQ6
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BU of 1xq6 by Molmil
X-ray Structure of Gene Product from Arabidopsis Thaliana At5g02240
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, unknown protein
著者Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-10-11
公開日2004-10-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray Structure of Gene Product from Arabidopsis Thaliana At5g02240
To be published
3N5F
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BU of 3n5f by Molmil
Crystal Structure of L-N-carbamoylase from Geobacillus stearothermophilus CECT43
分子名称: CACODYLATE ION, COBALT (II) ION, ISOPROPYL ALCOHOL, ...
著者Garcia-Pino, A, Martinez-Rodriguez, S, Gavira, J.A.
登録日2010-05-25
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mutational and structural analysis of L-N-carbamoylase reveals new insights into a peptidase m20/m25/m40 family member.
J.Bacteriol., 194, 2012
4I3X
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BU of 4i3x by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetate and cofactor NAD+
分子名称: Aldehyde dehydrogenase (NAD+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHONOACETIC ACID
著者Nair, S.K, Agarwal, V.
登録日2012-11-26
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I76
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BU of 4i76 by Molmil
Crystal structure of transcriptional regulator TM1030 with octanol
分子名称: 1,2-ETHANEDIOL, OCTAN-1-OL, Transcriptional regulator, ...
著者Koclega, K.D, Chruszcz, M, Cooper, D.R, Petkowski, J.J, Tkaczuk, K.L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2012-11-30
公開日2013-01-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of transcriptional regulator TM1030 with octanol
To be Published
3NRH
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BU of 3nrh by Molmil
Crystal Structure of protein BF1032 from Bacteroides fragilis, Northeast Structural Genomics Consortium Target BfR309
分子名称: uncharacterized protein BF1032
著者Seetharaman, J, Lew, S, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-30
公開日2010-08-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Northeast Structural Genomics Consortium Target BfR309
To be Published, 2010
3NRL
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BU of 3nrl by Molmil
Crystal Structure of protein RUMGNA_01417 from Ruminococcus gnavus, Northeast Structural Genomics Consortium Target UgR76
分子名称: SULFATE ION, uncharacterized protein RUMGNA_01417
著者Seetharaman, J, Abashidze, M, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-30
公開日2010-08-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Northeast Structural Genomics Consortium Target UgR76
To be Published
4I7L
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BU of 4i7l by Molmil
T4 Lysozyme L99A/M102H with phenol bound
分子名称: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4I7Q
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BU of 4i7q by Molmil
T4 Lysozyme L99A/M102H with 4-trifluoromethylimidazole bound
分子名称: 2-HYDROXYETHYL DISULFIDE, 5-(trifluoromethyl)-1H-imidazole, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4I81
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BU of 4i81 by Molmil
Crystal Structure of ATPgS bound ClpX Hexamer
分子名称: ATP-dependent Clp protease ATP-binding subunit ClpX, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION
著者Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T.
登録日2012-12-01
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.8182 Å)
主引用文献Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine.
Cell(Cambridge,Mass.), 153, 2013
3NS1
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BU of 3ns1 by Molmil
Crystal Structure of Bovine Xanthine Oxidase in Complex with 6-Mercaptopurine
分子名称: 9H-purine-6-thiol, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Cao, H, Pauff, J.M, Hille, R.
登録日2010-07-01
公開日2010-07-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid.
J.Biol.Chem., 285, 2010
4I9D
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BU of 4i9d by Molmil
X-ray structure of NikA in complex with Fe-N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl
分子名称: ACETATE ION, GLYCEROL, Nickel-binding periplasmic protein, ...
著者Cherrier, M.V, Amara, P, Iannello, M, Cavazza, C.
登録日2012-12-05
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An artificial oxygenase built from scratch: substrate binding site identified using a docking approach.
Angew.Chem.Int.Ed.Engl., 52, 2013
4HXQ
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Crystal structure of human Arginase-1 complexed with inhibitor 14
分子名称: Arginase-1, MANGANESE (II) ION, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
登録日2012-11-12
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4IA6
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Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Khoshnevis, S, Neumann, P, Ficner, R.
登録日2012-12-06
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus
Acta Crystallogr.,Sect.D, 69, 2013

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