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3H0S
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Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
分子名称: 1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
著者Vajdos, F.
登録日2009-04-10
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3QO0
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Monoclinic form of IgG1 Fab fragment (in complex with antigenic peptide) sharing same Fv as IgA
分子名称: Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL, ...
著者Trajtenberg, F, Correa-Bove, A, Buschiazzo, A.
登録日2011-02-09
公開日2012-02-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of human IGA1 and IGG1 fab fragments sharing the same variable domains
To be published
3H1P
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Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
分子名称: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
著者Witkowski, W.A, Hardy, J.A.
登録日2009-04-13
公開日2009-06-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
3QTK
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BU of 3qtk by Molmil
The crystal structure of chemically synthesized VEGF-A
分子名称: ACETATE ION, GLYCEROL, Vascular endothelial growth factor A, ...
著者Mandal, K, Kent, S.B.H.
登録日2011-02-22
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Total chemical synthesis of biologically active vascular endothelial growth factor.
Angew.Chem.Int.Ed.Engl., 50, 2011
3H1V
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BU of 3h1v by Molmil
Human glucokinase in complex with a synthetic activator
分子名称: 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ...
著者Kamata, K, Takahashi, K.
登録日2009-04-14
公開日2009-10-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.
Bioorg.Med.Chem., 17, 2009
3QPY
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Crystal structure of a mutant (K57A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
著者Allison, T.M, Jameson, G.B, Parker, E.J.
登録日2011-02-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
3QVG
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XRCC1 bound to DNA ligase
分子名称: DNA ligase 3, DNA repair protein XRCC1
著者Cuneo, M.J, Krahn, J.M, London, R.E.
登録日2011-02-25
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes.
Nucleic Acids Res., 39, 2011
3Q6I
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Crystal structure of FabG4 and coenzyme binary complex
分子名称: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Dutta, D, Bhattacharyya, S, Das, A.K.
登録日2011-01-01
公開日2012-01-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of holoFabG4
To be Published
3ITG
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Structure the proline utilization A proline dehydrogenase domain (PutA86-630) inactivated with N-propargylglycine
分子名称: Bifunctional protein putA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Tanner, J.J.
登録日2009-08-28
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of the proline utilization a proline dehydrogenase domain inactivated by N-propargylglycine provides insight into conformational changes induced by substrate binding and flavin reduction.
Biochemistry, 49, 2010
3Q82
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Meropenem acylated BlaR1 sensor domain from Staphylococcus aureus
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
著者Borbulevych, O.Y, Mobashery, S, Baker, B.M.
登録日2011-01-05
公開日2011-07-20
最終更新日2013-01-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3IW5
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BU of 3iw5 by Molmil
Human p38 MAP Kinase in Complex with an Indole Derivative
分子名称: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-09-02
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IWA
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BU of 3iwa by Molmil
Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from Desulfovibrio vulgaris
分子名称: CALCIUM ION, FAD-dependent pyridine nucleotide-disulphide oxidoreductase
著者Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-09-02
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from Desulfovibrio vulgaris
To be Published
3Q7E
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BU of 3q7e by Molmil
Crystal Structure of rat Protein Arginine Methyltransferase 1 (PRMT1)M48L mutant
分子名称: MAGNESIUM ION, Protein arginine N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Johnson, S.J, Porter, P.J, Hevel, J.M.
登録日2011-01-04
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Investigation of the molecular origins of protein-arginine methyltransferase I (PRMT1) product specificity reveals a role for two conserved methionine residues.
J.Biol.Chem., 286, 2011
3I6X
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BU of 3i6x by Molmil
Crystal structure of the calponin homology domain of IQGAP1
分子名称: Ras GTPase-activating-like protein IQGAP1
著者Kurella, V.B.
登録日2009-07-07
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The IQGAP1 N-Terminus Forms Dimers, and the Dimer Interface Is Required for Binding F-Actin and Calcium-Bound Calmodulin.
Biochemistry, 55, 2016
3Q98
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BU of 3q98 by Molmil
Structure of ygeW encoded protein from E. coli
分子名称: transcarbamylase
著者Li, Y, Jing, Z, Yu, X, Allewell, N.M, Tuchman, M, Shi, D.
登録日2011-01-07
公開日2011-05-04
最終更新日2018-06-06
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The ygeW encoded protein from Escherichia coli is a knotted ancestral catabolic transcarbamylase.
Proteins, 79, 2011
3Q9I
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BU of 3q9i by Molmil
LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold, bromide derivative
分子名称: CHLORIDE ION, Cyclic pseudo-peptide LV(4BF)FA(ORN)(HAO)LK(ORN), GLYCEROL, ...
著者Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J.
登録日2011-01-07
公開日2011-06-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics.
J.Am.Chem.Soc., 133, 2011
3Q7U
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BU of 3q7u by Molmil
Structure of Mtb 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD) complexed with CTP
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-01-05
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): a candidate antitubercular drug target
Proteins, 2011
3I7F
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BU of 3i7f by Molmil
Aspartyl tRNA synthetase from Entamoeba histolytica
分子名称: Aspartyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the aspartyl-tRNA synthetase from Entamoeba histolytica.
Mol.Biochem.Parasitol., 169, 2010
3I7X
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High pressure structure of I106A RNase A variant (0.35 GPa)
分子名称: CHLORIDE ION, Ribonuclease pancreatic
著者Lewinski, K, Kurpiewska, K, Dziubek, K, Katrusiak, A, Font, J, Ribo, M, Vilanova, M.
登録日2009-07-09
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography
Chem.Phys., 468, 2016
3Q8B
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BU of 3q8b by Molmil
Crystal structure of WT Protective Antigen (pH 9.0)
分子名称: CALCIUM ION, Protective antigen
著者Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G.
登録日2011-01-06
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2.
Protein Sci., 21, 2012
3I87
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Ethanolamine Utilization Microcompartment Shell Subunit, EutL Open Form
分子名称: CHLORIDE ION, Ethanolamine utilization protein eutL
著者Tanaka, S, Sawaya, M.R, Yeates, T.O.
登録日2009-07-09
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and Mechanisms of a Protein-Based Organelle in Escherichia coli.
Science, 327, 2010
3QBQ
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BU of 3qbq by Molmil
Crystal structure of extracellular domains of mouse RANK-RANKL complex
分子名称: Tumor necrosis factor ligand superfamily member 11, Tumor necrosis factor receptor superfamily member 11A
著者Ta, H.M, Nguyen, G.T.T, Jin, H.M, Choi, J.K, Park, H, Kim, N.S, Hwang, H.Y, Kim, K.K.
登録日2011-01-13
公開日2011-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based development of a receptor activator of nuclear factor-kappaB ligand (RANKL) inhibitor peptide and molecular basis for osteopetrosis
Proc.Natl.Acad.Sci.USA, 107, 2010
3QDJ
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The complex between TCR DMF5 and human Class I MHC HLA-A2 with the bound MART-1(27-35) nonameric peptide
分子名称: Beta-2-microglobulin, DMF5 alpha chain, DMF5 beta chain, ...
著者Borbulevych, O.Y, Baker, B.M.
登録日2011-01-18
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TCRs Used in Cancer Gene Therapy Cross-React with MART-1/Melan-A Tumor Antigens via Distinct Mechanisms.
J.Immunol., 187, 2011
3I8U
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Crystal structure of PcyA-181,182-dihydrobiliverdin complex
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase
著者Hagiwara, Y, Sugishima, M, Fukuyama, K.
登録日2009-07-10
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA).
To be Published
3QC5
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GspB
分子名称: GLYCEROL, NITROGEN MOLECULE, POTASSIUM ION, ...
著者Pyburn, T.M, Iverson, T.M.
登録日2011-01-15
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors.
Plos Pathog., 7, 2011

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