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2AZY
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BU of 2azy by Molmil
Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Cholate
分子名称: CALCIUM ION, CHOLIC ACID, Phospholipase A2, ...
著者Pan, Y.H, Bahnson, B.J, Jain, M.K.
登録日2005-09-12
公開日2006-11-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
3OCZ
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BU of 3ocz by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase Complexed with the inhibitor adenosine 5-O-thiomonophosphate
分子名称: ADENOSINE -5'-THIO-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of the inhibition of class C acid phosphatases by adenosine 5'-phosphorothioate.
Febs J., 278, 2011
4IL6
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BU of 4il6 by Molmil
Structure of Sr-substituted photosystem II
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R.
登録日2012-12-29
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
4OA4
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BU of 4oa4 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SHEWANELLA LOIHICA PV-4 (Shew_1446), TARGET EFI-510273, WITH BOUND SUCCINATE
分子名称: CHLORIDE ION, SUCCINIC ACID, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-01-03
公開日2014-02-05
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3HBV
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BU of 3hbv by Molmil
PrtC methionine mutants: M226A in-house
分子名称: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
著者Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
登録日2009-05-05
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Metzincin's canonical methionine is responsible for the structural integrity of the zinc-binding site
Biol.Chem., 390, 2009
3HCX
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BU of 3hcx by Molmil
Crystal structure of E. coli HPPK(N10A)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
著者Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日2009-05-06
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Role of loop coupling in enzymatic catalysis and conformational dynamics
To be Published
4IK7
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BU of 4ik7 by Molmil
Crystal structure of human transthyretin in complex with indomethacin
分子名称: INDOMETHACIN, Transthyretin
著者Lima, L.M.T.R.
登録日2012-12-25
公開日2013-01-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human transthyretin in complex with indomethacin
To be Published
3H99
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BU of 3h99 by Molmil
Structure of a mutant methionyl-tRNA synthetase with modified specificity complexed with methionine
分子名称: CITRIC ACID, METHIONINE, Methionyl-tRNA synthetase, ...
著者Schmitt, E, Tanrikulu, I.C, Yoo, T.H, Panvert, M, Tirrell, D.A, Mechulam, Y.
登録日2009-04-30
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Switching from an induced-fit to a lock-and-key mechanism in an aminoacyl-tRNA synthetase with modified specificity.
J.Mol.Biol., 394, 2009
4IDB
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BU of 4idb by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Ripening-induced protein, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
4IKV
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BU of 4ikv by Molmil
Crystal structure of peptide transporter POT
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Di-tripeptide ABC transporter (Permease), OLEIC ACID, ...
著者Doki, S, Kato, H.E, Ishitani, R, Nureki, O.
登録日2012-12-28
公開日2013-07-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IH7
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BU of 4ih7 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION
著者Harris, S.F, Wong, A.
登録日2012-12-18
公開日2013-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IHL
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BU of 4ihl by Molmil
Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
分子名称: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ...
著者Molzan, M, Ottmann, C.
登録日2012-12-19
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
3GOI
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BU of 3goi by Molmil
Human glucokinase in complex with a synthetic activator
分子名称: 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, alpha-D-glucopyranose
著者Kamata, K, Mitsuya, M.
登録日2009-03-19
公開日2009-04-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators
Bioorg.Med.Chem.Lett., 19, 2009
2AYE
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BU of 2aye by Molmil
Crystal structure of the unliganded E2 DNA Binding Domain from HPV6a
分子名称: GLYCEROL, Regulatory protein E2, SULFATE ION
著者Hooley, E, Brady, R.L, Gaston, K.
登録日2005-09-07
公開日2006-08-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The recognition of local DNA conformation by the human papillomavirus type 6 E2 protein.
Nucleic Acids Res., 34, 2006
3NS5
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BU of 3ns5 by Molmil
Crystal structure of the RNA recognition motif of yeast eIF3b residues 76-161
分子名称: Eukaryotic translation initiation factor 3 subunit B
著者Khoshnevis, S, Neumann, P, Ficner, R.
登録日2010-07-01
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Crystal structure of the RNA recognition motif of yeast translation initiation factor eIF3b reveals differences to human eIF3b.
Plos One, 5, 2010
4IFT
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BU of 4ift by Molmil
Crystal structure of double mutant thermostable NPPase from Geobacillus stearothermophilus
分子名称: Thermostable NPPase
著者Guo, Z, Huang, J, Wang, F, Qiu, R, Wang, Y, Ji, C.
登録日2012-12-15
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Crystal structure of thermostable NPPase from Geobacillus stearothermophilus
To be Published
3GP1
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BU of 3gp1 by Molmil
MutM encountering an intrahelical 8-oxoguanine (oxoG) lesion in EC3-V222P complex
分子名称: 5'-D(*AP*GP*GP*TP*AP*GP*AP*TP*CP*CP*GP*GP*AP*CP*GP*CP**C)-3', 5'-D(P*TP*GP*CP*GP*TP*CP*CP*(8OG)P*GP*AP*TP*CP*TP*AP*CP*C)-3', DNA glycosylase, ...
著者Spong, M.C, Qi, Y, Verdine, G.L.
登録日2009-03-20
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme
Nature, 462, 2009
3NX3
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BU of 3nx3 by Molmil
Crystal structure of acetylornithine aminotransferase (argD) from Campylobacter jejuni
分子名称: Acetylornithine aminotransferase, MAGNESIUM ION
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-07-12
公開日2010-08-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

3GO7
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BU of 3go7 by Molmil
Crystal Structure of M. tuberculosis ribokinase (Rv2436) in complex with ribose
分子名称: MAGNESIUM ION, RIBOKINASE RBSK, alpha-D-ribofuranose
著者Masters, E.I, Sun, Y, Wang, Y, Parker, W.B, Li, R.
登録日2009-03-18
公開日2010-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and biochemical characterization of M.tuberculosis ribokinase (Rv2436)
To be Published
4IG1
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BU of 4ig1 by Molmil
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, Mg(II)-AMP product bound form
分子名称: ACETATE ION, ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, ...
著者Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
登録日2012-12-15
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4318 Å)
主引用文献The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
J.Biol.Chem., 288, 2013
4OCT
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BU of 4oct by Molmil
Crystal structure of human ALKBH5 crystallized in the presence of Mn^{2+} and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5, ...
著者Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-01-09
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
4IIM
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BU of 4iim by Molmil
Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide
分子名称: Intersectin-1, UNKNOWN ATOM OR ION, peptide ligand
著者Dong, A, Guan, X, Huang, H, Wernimont, A, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2012-12-20
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide
To be Published
3GQ0
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BU of 3gq0 by Molmil
The structure of the Caulobacter crescentus clpS protease adaptor protein - apo structure with no peptide
分子名称: ATP-dependent Clp protease adapter protein clpS
著者Baker, T.A, Roman-Hernandez, G, Sauer, R.T, Grant, R.A.
登録日2009-03-23
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.066 Å)
主引用文献Molecular basis of substrate selection by the N-end rule adaptor protein ClpS.
Proc.Natl.Acad.Sci.USA, 106, 2009
4IIN
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BU of 4iin by Molmil
Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+
分子名称: 3-ketoacyl-acyl carrier protein reductase (FabG), ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-20
公開日2013-01-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+
To be Published
3GQA
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BU of 3gqa by Molmil
Crystal Structure of the Bacteriophage phi29 gene product 12 N-terminal fragment in complex with cobalt ions
分子名称: COBALT (II) ION, PHOSPHATE ION, 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2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009

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