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4NZI
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BU of 4nzi by Molmil
Crystal structure of murine neuroglobin mutant V140W
分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Avella, G, Savino, C, Vallone, B.
登録日2013-12-12
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
3H9N
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BU of 3h9n by Molmil
Crystal structure of the ribosome maturation factor rimm (hi0203) from h.influenzae. northeast structural genomics consortium target IR66.
分子名称: Ribosome maturation factor rimM, SULFATE ION
著者Kuzin, A, Su, M, Seetharaman, J, Mao, M, Xiao, R, Maglaqui, M, Zhao, L, 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2009-04-30
公開日2009-05-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Northeast Structural Genomics Consortium Target IR66
To be Published
4O07
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BU of 4o07 by Molmil
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
分子名称: 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha
著者Zuccola, H.J, Ernst, J.T.
登録日2013-12-13
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.
J.Med.Chem., 57, 2014
3GOC
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BU of 3goc by Molmil
Crystal structure of the Endonuclease V (SAV1684) from Streptomyces avermitilis. Northeast Structural Genomics Consortium Target SvR196
分子名称: 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol, CHLORIDE ION, Endonuclease V, ...
著者Forouhar, F, Abashidze, M, Hussain, M, Seetharaman, J, Fang, F, Xiao, R, Cunningham, K, Ma, L, Owens, L, Chen, C.X, 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2009-03-18
公開日2009-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the Endonuclease V (SAV1684) from Streptomyces avermitilis. Northeast Structural Genomics Consortium Target SvR196.
To be Published
3GQH
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BU of 3gqh by Molmil
Crystal Structure of the Bacteriophage phi29 gene product 12 C-terminal fragment
分子名称: Preneck appendage protein
著者Xiang, Y, Rossmann, M.G.
登録日2009-03-24
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009
3UIO
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BU of 3uio by Molmil
Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II
分子名称: E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
著者Gareau, J.R, Reverter, D, Lima, C.D.
登録日2011-11-05
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
3GR8
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BU of 3gr8 by Molmil
Structure of OYE from Geobacillus kaustophilus, orthorhombic crystal form
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase, ...
著者Uhl, M.K, Gruber, K.
登録日2009-03-25
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Old Yellow Enzyme-Catalyzed Dehydrogenation of Saturated Ketones
ADV.SYNTH.CATAL., 353, 2011
4NZG
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BU of 4nzg by Molmil
Crystal Structure of the N-terminal domain of Moloney murine leukemia virus integrase, Northeast Structural Genomics Consortium Target OR3
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Integrase p46, ...
著者Guan, R, Jiang, M, Janjua, H, Maglaqui, M, Zhao, L, Xiao, R, Acton, T.B, Everett, J.K, Roth, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-12-12
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献X-ray crystal structure of the N-terminal region of Moloney murine leukemia virus integrase and its implications for viral DNA recognition.
Proteins, 85, 2017
3UDP
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BU of 3udp by Molmil
Crystal Structure of BACE with Compound 12
分子名称: (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, Beta-secretase 1, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3GO0
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BU of 3go0 by Molmil
Crystal structure of D-enantiomer of human alpha-defensin 1 (D-HNP1)
分子名称: CHLORIDE ION, Neutrophil defensin 1
著者Pazgier, M, Lu, W.-Y.
登録日2009-03-18
公開日2009-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Through the looking glass, mechanistic insights from enantiomeric human defensins.
J.Biol.Chem., 284, 2009
3GXM
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BU of 3gxm by Molmil
Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization condition
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, SULFATE ION
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3GZG
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BU of 3gzg by Molmil
Crystal structure of the Xanthomonas axonopodis pv. citri molybdate-binding protein (ModA) mutant (K127S)
分子名称: MOLYBDATE ION, Molybdate-binding periplasmic protein; permease, SULFATE ION
著者Santacruz-Perez, C, Pegos, V.R, Balan, A, Barbosa, J.A.R.G.
登録日2009-04-07
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the Xanthomonas axonopodis pv. citri molybdate-binding protein (ModA) mutant (K127S)
To be Published
4O35
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BU of 4o35 by Molmil
Crystal structure of carbomonoxy murine neuroglobin mutant F106W
分子名称: 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, Neuroglobin, ...
著者Avella, G, Savino, C, Vallone, B.
登録日2013-12-18
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
3GW2
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BU of 3gw2 by Molmil
Crystal structure of possible transcriptional regulatory protein (fragment 1-100) from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR242E.
分子名称: Possible transcriptional regulatory arsR-family protein
著者Kuzin, A.P, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, 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2009-03-31
公開日2009-04-21
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Northeast Structural Genomics Consortium Target MbR242E
To be published
3HCA
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BU of 3hca by Molmil
Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy
分子名称: 1,2-ETHANEDIOL, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2009-05-06
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3HCG
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BU of 3hcg by Molmil
Structure of the C-terminal domain (MsrB) of Neisseria meningitidis PilB (reduced form)
分子名称: PHOSPHATE ION, Peptide methionine sulfoxide reductase msrA/msrB
著者Ranaivoson, F.M, Kauffmann, B, Favier, F.
登録日2009-05-06
公開日2009-10-13
最終更新日2014-04-09
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Methionine sulfoxide reductase B displays a high level of flexibility.
J.Mol.Biol., 394, 2009
3UL5
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BU of 3ul5 by Molmil
Saccharum officinarum canecystatin-1 in space group C2221
分子名称: Canecystatin-1, GLYCEROL, SODIUM ION
著者Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C.
登録日2011-11-10
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
3UD5
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BU of 3ud5 by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A
分子名称: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
著者Shaw, G, Shi, G, Ji, X.
登録日2011-10-27
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
3HA2
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BU of 3ha2 by Molmil
Crystal Structure of Protein (NADPH-quinone reductase) from P.pentosaceus, Northeast Structural Genomics Consortium Target PtR24A
分子名称: DI(HYDROXYETHYL)ETHER, NADPH-quinone reductase, SULFATE ION
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Maglaqui, M, 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2009-04-30
公開日2009-05-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Northeast Structural Genomics Consortium Target PtR24A
To be Published
4O9C
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BU of 4o9c by Molmil
Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16
分子名称: Acetyl-CoA acetyltransferase, COENZYME A
著者Kim, E.J, Kim, J, Kim, S, Kim, K.J.
登録日2014-01-02
公開日2014-12-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium.
Biochem.Biophys.Res.Commun., 452, 2014
3GOO
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BU of 3goo by Molmil
Strontium bound to the Holliday junction sequence d(TCGGCGCCGA)4
分子名称: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', STRONTIUM ION
著者Naseer, A, Cardin, C.J.
登録日2009-03-19
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Strontium bound to the Holliday junction sequence d(TCGGCGCCGA)4
To be Published
3H6Z
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BU of 3h6z by Molmil
Crystal Structure of the Four MBT Repeats of Drosophila melanogaster Sfmbt in Complex with Peptide RHR (me)K VLR
分子名称: 'HR(MLZ)VLR, Polycomb protein Sfmbt, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Grimm, C, Mueller, C.W.
登録日2009-04-24
公開日2009-06-16
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular recognition of histone lysine methylation by the Polycomb group repressor dSfmbt
Embo J., 28, 2009
3GT0
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BU of 3gt0 by Molmil
Crystal structure of pyrroline 5-carboxylate reductase from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR38B
分子名称: Pyrroline-5-carboxylate reductase
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Shastry, R, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-03-27
公開日2009-04-21
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Northeast Structural Genomics Consortium Target BcR38B
To be published
4OM5
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BU of 4om5 by Molmil
Crystal structure of CTX A4 from Taiwan Cobra (Naja naja atra)
分子名称: Cytotoxin 4
著者Lin, C.C, Chang, C.I, Wu, W.G.
登録日2014-01-26
公開日2014-06-11
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Endocytotic Routes of Cobra Cardiotoxins Depend on Spatial Distribution of Positively Charged and Hydrophobic Domains to Target Distinct Types of Sulfated Glycoconjugates on Cell Surface.
J.Biol.Chem., 289, 2014
3GW4
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Crystal structure of uncharacterized protein from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR162B.
分子名称: Uncharacterized protein
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, 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2009-03-31
公開日2009-04-21
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Northeast Structural Genomics Consortium Target DrR162B
To be published

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