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3TPJ
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APO structure of BACE1
分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TQU
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BU of 3tqu by Molmil
Structure of a HAM1 protein from Coxiella burnetii
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Non-canonical purine NTP pyrophosphatase
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3U7F
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Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTCp)
分子名称: Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ...
著者Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M.
登録日2011-10-13
公開日2011-12-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TRZ
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BU of 3trz by Molmil
Mouse Lin28A in complex with let-7d microRNA pre-element
分子名称: Protein lin-28 homolog A, RNA (5'-R(*GP*GP*GP*CP*AP*GP*GP*GP*AP*UP*UP*UP*UP*GP*CP*CP*CP*GP*GP*AP*G)-3'), ZINC ION
著者Nam, Y, Sliz, P.
登録日2011-09-11
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Basis for Interaction of let-7 MicroRNAs with Lin28.
Cell(Cambridge,Mass.), 147, 2011
3TV2
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Structure of a class II fumarate hydratase from Burkholderia pseudomallei
分子名称: Fumarate hydratase, class II, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-19
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a class II fumarate hydratase from Burkholderia pseudomallei
To be Published
3U9P
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Crystal Structure of Murine Siderocalin in Complex with an Fab Fragment
分子名称: Monoclonal Fab Fragment Heavy Chain, Monoclonal Fab Fragment Light Chain, Neutrophil gelatinase-associated lipocalin
著者Correnti, C, Strong, R.K.
登録日2011-10-19
公開日2013-05-01
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines.
Plos One, 7, 2012
3TYZ
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BU of 3tyz by Molmil
Crystal Structure of the Yersinia pestis Dihydropteroate synthetase with substrate transition state complex.
分子名称: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-AMINOBENZOIC ACID, 7,8-dihydropteroate synthase, ...
著者Wu, Y.
登録日2011-09-26
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TZB
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BU of 3tzb by Molmil
Quinone Oxidoreductase (NQ02) bound to NSC13000
分子名称: 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Dunstan, M.S, Leys, D.
登録日2011-09-27
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1901 Å)
主引用文献In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappa B signaling.
Mol.Cancer Ther., 11, 2012
3UAY
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BU of 3uay by Molmil
Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with adenosine
分子名称: ADENOSINE, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ...
著者Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3WNR
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BU of 3wnr by Molmil
Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
分子名称: CHLORIDE ION, GLYCEROL, Macrophage migration inhibitory factor, ...
著者Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A.
登録日2013-12-16
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
3W40
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Crystal structure of RsbX in complex with magnesium in space group P1
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 (1.3 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
3UCL
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BU of 3ucl by Molmil
Cyclohexanone-bound crystal structure of cyclohexanone monooxygenase in the Rotated conformation
分子名称: CYCLOHEXANONE, Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yachnin, B.J, Berghuis, A.M.
登録日2011-10-27
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献The Substrate-Bound Crystal Structure of a Baeyer-Villiger Monooxygenase Exhibits a Criegee-like Conformation.
J.Am.Chem.Soc., 134, 2012
3UDK
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BU of 3udk by Molmil
Crystal Structure of BACE with Compound 6
分子名称: 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ...
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 (2.51 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
3UJ2
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BU of 3uj2 by Molmil
CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
分子名称: Enolase 1, MAGNESIUM ION, SULFATE ION
著者Vetting, M.W, Toro, R, Bhosle, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-11-07
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
to be published
3UL3
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BU of 3ul3 by Molmil
Structural insights into thioredoxin-2: a component of malaria parasite protein secretion machinery
分子名称: Thioredoxin
著者Sharma, A, Sharma, A, Dixit, S, Sharma, A.
登録日2011-11-10
公開日2011-12-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献Structural insights into thioredoxin-2: a component of malaria parasite protein secretion machinery.
Sci Rep, 1, 2011
3UC2
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Crystal structure of a DUF4426 family protein (PA0388) from Pseudomonas aeruginosa PAO1 at 2.09 A resolution
分子名称: GLYCEROL, SULFATE ION, hypothetical protein with immunoglobulin-like fold
著者Joint Center for Structural Genomics (JCSG)
登録日2011-10-25
公開日2011-11-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of a hypothetical protein with immunoglobulin-like fold (PA0388) from Pseudomonas aeruginosa PAO1 at 2.09 A resolution
To be published
3UCG
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Crystal structure of a RNA binding domain of polyadenylate-binding protein (PABPN1) from Homo sapiens at 1.95 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyadenylate-binding protein 2, ...
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2011-10-26
公開日2011-11-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a RNA binding domain of Hypothetical POLYADENYLATE-BINDING PROTEIN (PABPN1) from Homo sapiens at 1.95 A resolution
To be published
3UFM
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BU of 3ufm by Molmil
Co-crystal structure of Deinococcus radiodurans uracil-DNA glycosylase and the C-terminus of the single-stranded DNA-binding protein
分子名称: IODIDE ION, Single-stranded DNA-binding protein, Uracil-DNA glycosylase
著者George, N.P, Keck, J.L.
登録日2011-11-01
公開日2012-11-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of the SSB-interaction platform of Deinococcus radiodurans uracil-DNA glycosylase
To be Published
3UIF
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BU of 3uif by Molmil
CRYSTAL STRUCTURE OF putative sulfonate ABC transporter, periplasmic sulfonate-binding protein SsuA from Methylobacillus flagellatus KT
分子名称: GLYCEROL, SULFATE ION, Sulfonate ABC transporter, ...
著者Malashkevich, V.N, Bonanno, J.B, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-11-04
公開日2011-11-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CRYSTAL STRUCTURE OF putative sulfonate ABC transporter, periplasmic sulfonate-binding protein SsuA from Methylobacillus flagellatus KT
To be Published
3UIO
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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
3UJ0
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Crystal structure of the inositol 1,4,5-trisphosphate receptor with ligand bound form.
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1
著者Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and functional conservation of key domains in InsP3 and ryanodine receptors.
Nature, 483, 2012
3UC0
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Crystal structure of domain I of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2
分子名称: GLYCEROL, Heavy chain, monoclonal antibody 5H2, ...
著者Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A.
登録日2011-10-25
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
3UCW
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Structure of MG2+ bound N-Terminal domain of Calmodulin
分子名称: 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 (1.76 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
3ULH
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Crystal structure of a RNA binding domain of THO complex subunit 4 protein (THOC4) from Homo sapiens at 2.54 A resolution
分子名称: PHOSPHATE ION, THO complex subunit 4
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2011-11-10
公開日2011-12-07
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structure of a RNA binding domain of THO complex subunit 4 protein (THOC4) from Homo sapiens at 2.54 A resolution
To be published
3UDE
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Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION
著者Shaw, G, Shi, G, Ji, X.
登録日2011-10-28
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.881 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

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