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4GJG
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BU of 4gjg by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C mutant D2N/V28I/L29Q/G30D (NIQD) in complex with cadmium.
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X, Paetzel, M.
登録日2012-08-09
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
4GL0
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BU of 4gl0 by Molmil
Putative spermidine/putrescine ABC transporter from Listeria monocytogenes
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lmo0810 protein, ...
著者Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-13
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Putative spermidine/putrescine ABC transporter from Listeria monocytogenes
To be Published
4GM3
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Crystal structure of human WD repeat domain 5 with compound MM-101
分子名称: MM-101, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2013-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.393 Å)
主引用文献High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
4GN9
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mouse SMP30/GNL-glucose complex
分子名称: CALCIUM ION, Regucalcin, SULFATE ION, ...
著者Aizawa, S, Senda, M, Harada, A, Maruyama, N, Ishida, T, Aigaki, T, Ishigami, A, Senda, T.
登録日2012-08-17
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the gamma-lactone-ring formation in ascorbic acid biosynthesis by the senescence marker protein-30/gluconolactonase
Plos One, 8, 2013
4GLC
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DNA dodecamer containing 5-hydroxymethyl-cytosine
分子名称: DNA (5'-D(*CP*GP*(5HC)P*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Spingler, B, Renciuk, D, Vorlickova, M.
登録日2012-08-14
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
4GLS
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BU of 4gls by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21
分子名称: D- RFX001, D- Vascular endothelial growth factor-A, DI(HYDROXYETHYL)ETHER, ...
著者Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
登録日2012-08-14
公開日2012-09-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GMB
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BU of 4gmb by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-402
分子名称: MM-402, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
4GNJ
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BU of 4gnj by Molmil
Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase
分子名称: ARSENIC, SODIUM ION, Triosephosphate isomerase
著者Kuaprasert, B, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Leartsakulpanich, U.
登録日2012-08-17
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase
To be Published
4GPW
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BU of 4gpw by Molmil
Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P21212 form)
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
登録日2012-08-22
公開日2013-04-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
4GPY
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BU of 4gpy by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 6'-hydroxysisomicin
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
著者Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
登録日2012-08-22
公開日2013-04-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
4GRE
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BU of 4gre by Molmil
DNA holliday junction stabilized by iodine halogen bond. I2J Construct of related reference
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(IOU)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-24
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
4GQ3
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Human menin with bound inhibitor MI-2
分子名称: 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, Menin, ...
著者Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
登録日2012-08-22
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GSI
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BU of 4gsi by Molmil
DNA Holliday junction stabilized by fluorine halogen bond. F2J construct of related reference.
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(UFP)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-27
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
4GQJ
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BU of 4gqj by Molmil
Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG)
分子名称: (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
著者Boer, D.R, Coll, M.
登録日2012-08-23
公開日2014-03-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Thread Insertion of a Bis(dipyridophenazine) Diruthenium Complex into the DNA Double Helix by the Extrusion of AT Base Pairs and Cross-Linking of DNA Duplexes.
Angew.Chem.Int.Ed.Engl., 53, 2014
4GVV
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BU of 4gvv by Molmil
Crystal Structure of de novo design serine hydrolase OSH55.27, Northeast Structural Genomics Consortium (NESG) Target OR246
分子名称: De novo design serine hydrolase
著者Kuzin, A, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-08-31
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Northeast Structural Genomics Consortium Target OR246
To be Published
4GW6
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BU of 4gw6 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein
著者Feng, L, Kvaratskhelia, M.
登録日2012-08-31
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4H0J
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BU of 4h0j by Molmil
Mutant M58C of Nostoc sp Cytochrome c6
分子名称: Cytochrome c6, HEME C
著者Pannu, N.S, Skubak, P, Ubbink, M, Cavazzini, D, Rossi, G.L.
登録日2012-09-08
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy
Biochim.Biophys.Acta, 1837, 2014
4GS2
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DNA Holliday junction stabilized by iodine halogen bond. I1J construct in related reference.
分子名称: DNA (5'-D(*CP*CP*GP*AP*TP*AP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*TP*AP*(5IU)P*CP*GP*G)-3')
著者Ho, P.S, Carter, M.
登録日2012-08-27
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.
Biochemistry, 52, 2013
4GWO
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Crystal structure of ligand binding domain of LysR family member,CysB in complex with sulfate from Salmonella typhimurium LT2
分子名称: GLYCEROL, HTH-type transcriptional regulator CysB, SULFATE ION
著者Mittal, M, Singh, A.K, Kumaran, S.
登録日2012-09-03
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Crystal structure of ligand binding domain of LysR family member,CysB in complex with sulfate from Salmonella typhimurium LT2
To be Published
4GZB
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BU of 4gzb by Molmil
Crystal structure of native AmpC beta-lactamase from Pseudomonas aeruginosa PAO1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S.
登録日2012-09-06
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013
4H0K
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BU of 4h0k by Molmil
Mutant m58h of Nostoc sp cytochrome c6
分子名称: Cytochrome c6, HEME C
著者Pannu, N.S, Skubak, P, Cavazzini, D, Rossi, G.L, Ubbink, M.
登録日2012-09-08
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy
Biochim.Biophys.Acta, 1837, 2014
4H1W
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E1 structure of the (SR) Ca2+-ATPase in complex with Sarcolipin
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
著者Bublitz, M, Winther, A.-M.L, Karlsen, J, Moller, J.V, Hansen, J.B, Buch-Pedersen, M.J, Nissen, P.
登録日2012-09-11
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The sarcolipin-bound calcium pump stabilizes calcium sites exposed to the cytoplasm.
Nature, 495, 2013
4H0O
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Crystal Structure of Acetate Kinase from Entamoeba histolytica
分子名称: Acetate kinase
著者Thaker, T.M, Tanabe, M, Iverson, T.M.
登録日2012-09-09
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of acetate kinases from the eukaryotic pathogens Entamoeba histolytica and Cryptococcus neoformans.
J.Struct.Biol., 181, 2013
4H3B
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Crystal Structure of JNK3 in Complex with SAB Peptide
分子名称: Mitogen-activated protein kinase 10, SH3 domain-binding protein 5
著者Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V.
登録日2012-09-13
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases.
Structure, 20, 2012
4H50
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Crystal Structure of Ferredoxin reductase, BphA4 E175Q/T1776R/Q177G mutant (reduced form)
分子名称: Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ...
著者Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S.
登録日2012-09-18
公開日2013-10-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4
To be Published

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