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3UDP
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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
3UF4
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Crystal structure of a SH3 and SH2 domains of FYN protein (Proto-concogene Tyrosine-protein kinase Fyn) from Mus musculus at 1.98 A resolution
分子名称: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2011-10-31
公開日2011-12-07
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of a SH3 and SH2 domains of FYN protein (Proto-concogene Tyrosine-protein kinase Fyn) from Mus musculus at 1.98 A resolution
To be published
3UNL
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Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
分子名称: SULFATE ION, Steroid Delta-isomerase
著者Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
登録日2011-11-15
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni
To be Published
3UDG
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Structure of Deinococcus radiodurans SSB bound to ssDNA
分子名称: 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', Single-stranded DNA-binding protein, THYMIDINE-5'-PHOSPHATE
著者George, N.P, Ngo, K.V, Chitteni-Patu, S, Norais, C.A, Battista, J.R, Cox, M.M, Keck, J.L.
登録日2011-10-28
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and Cellular Dynamics of Deinococcus radiodurans Single-stranded DNA (ssDNA)-binding Protein (SSB)-DNA Complexes.
J.Biol.Chem., 287, 2012
3UGG
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BU of 3ugg by Molmil
Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 1-kestose
分子名称: GLYCEROL, SULFATE ION, Sucrose:(Sucrose/fructan) 6-fructosyltransferase, ...
著者Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W.
登録日2011-11-02
公開日2011-11-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose.
Plant J., 70, 2012
3UMF
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BU of 3umf by Molmil
Schistosoma mansoni adenylate kinase
分子名称: Adenylate kinase
著者Marques, I, DeMarco, R, Pereira, H.M.
登録日2011-11-13
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Structural and kinetic studies of Schistosoma mansoni adenylate kinases.
Mol.Biochem.Parasitol., 185, 2012
3UCY
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BU of 3ucy by Molmil
Structure of Mg2+ bound N-terminal domain of calmodulin in the presence of Zn2+
分子名称: CACODYLATE ION, Calmodulin, MAGNESIUM ION, ...
著者Senguen, F.T, Grabarek, Z.
登録日2011-10-27
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray Structures of Magnesium and Manganese Complexes with the N-Terminal Domain of Calmodulin: Insights into the Mechanism and Specificity of Metal Ion Binding to an EF-Hand.
Biochemistry, 51, 2012
3UI4
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0.8 A resolution crystal structure of human Parvulin 14
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UJS
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Asymmetric complex of human neuron specific enolase-6-PGA/PEP
分子名称: (2R)-2-(phosphonooxy)propanoic acid, (2R)-3-oxo-2-(phosphonooxy)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
登録日2011-11-08
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UL5
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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
3UMZ
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BU of 3umz by Molmil
Crystal Structure of the human MDC1 FHA Domain
分子名称: Mediator of DNA damage checkpoint protein 1
著者Luo, S, Ye, K.
登録日2011-11-15
公開日2012-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural mechanism of the phosphorylation-dependent dimerization of the MDC1 forkhead-associated domain
Nucleic Acids Res., 40, 2012
3ULJ
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Crystal structure of apo Lin28B cold shock domain
分子名称: ACETATE ION, GLYCEROL, Lin28b, ...
著者Mayr, F, Schuetz, A, Doege, N, Heinemann, U.
登録日2011-11-10
公開日2012-08-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献The Lin28 cold-shock domain remodels pre-let-7 microRNA.
Nucleic Acids Res., 40, 2012
3UD5
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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
3UDL
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3-heterocyclyl quinolone bound to HCV NS5B
分子名称: 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase
著者Somoza, J.R.
登録日2011-10-28
公開日2011-12-21
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3UI5
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BU of 3ui5 by Molmil
Crystal structure of human Parvulin 14
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
3UF7
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BU of 3uf7 by Molmil
Co-crystal structure of Escherichia coli uracil-DNA glycosylase and a C-terminal fragement of the single-stranded DNA-binding protein
分子名称: SULFATE ION, Single-stranded DNA-binding protein, Uracil-DNA glycosylase
著者George, N.P, Liban, T.J, Reyes-Lamothe, R, Keck, J.L.
登録日2011-10-31
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Identification of the SSB-interaction platform of Escherichia coli uracil-DNA glycosylase
To be Published
3UFI
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Crystal structure of a putative cell adhesion protein (BACOVA_04980) from Bacteroides ovatus ATCC 8483 at 2.18 A resolution
分子名称: CHLORIDE ION, SULFATE ION, hypothetical protein BACOVA_04980
著者Joint Center for Structural Genomics (JCSG)
登録日2011-11-01
公開日2011-12-14
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A Distinct Type of Pilus from the Human Microbiome.
Cell, 165, 2016
3W41
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Crystal structure of RsbX in complex with magnesium in space group P21
分子名称: MAGNESIUM ION, Phosphoserine phosphatase RsbX
著者Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
登録日2013-01-04
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3W42
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Crystal structure of RsbX in complex with manganese in space group P1
分子名称: MANGANESE (II) ION, Phosphoserine phosphatase RsbX
著者Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
登録日2013-01-04
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3W44
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Crystal structure of RsbX, selenomethionine derivative
分子名称: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Phosphoserine phosphatase RsbX
著者Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
登録日2013-01-04
公開日2014-01-22
最終更新日2015-07-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3U7Z
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Crystal structure of a putative metal binding protein RUMGNA_00854 (ZP_02040092.1) from Ruminococcus gnavus ATCC 29149 at 1.30 A resolution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, putative metal binding protein RUMGNA_00854
著者Joint Center for Structural Genomics (JCSG)
登録日2011-10-14
公開日2011-11-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of a putative metal binding protein RUMGNA_00854 (ZP_02040092.1) from Ruminococcus gnavus ATCC 29149 at 1.30 A resolution
To be published
3TUZ
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Inward facing conformations of the MetNI methionine ABC transporter: CY5 SeMet soak crystal form
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-methionine transport system permease protein metI, Methionine import ATP-binding protein MetN, ...
著者Johnson, E, Nguyen, P, Rees, D.C.
登録日2011-09-19
公開日2011-11-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Inward facing conformations of the MetNI methionine ABC transporter: Implications for the mechanism of transinhibition.
Protein Sci., 21, 2012
3UB9
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Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with hydroxyurea bound
分子名称: GLYCEROL, N-HYDROXYUREA, SULFATE ION, ...
著者Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J.
登録日2011-10-23
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Structure, 20, 2012
3UBM
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Formyl-CoA:oxalate CoA-transferase from Acetobacter aceti
分子名称: COENZYME A, Formyl-CoA:oxalate CoA-transferase
著者Starks, C.M, Mullins, E.A, Kappock, T.J.
登録日2011-10-24
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Formyl-coenzyme A (CoA): Oxalate CoA-transferase from the acidophile Acetobacter aceti has a distinctive electrostatic surface and inherent acid stability.
Protein Sci., 21, 2012
3TY0
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Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
分子名称: (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
著者Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W.
登録日2011-09-23
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011

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