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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
Descriptor: CALCIUM ION, CHOLIC ACID, Phospholipase A2, ...
Authors:Pan, Y.H, Bahnson, B.J, Jain, M.K.
Deposit date:2005-09-12
Release date:2006-11-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ADENOSINE -5'-THIO-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 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, ...
Authors:Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R.
Deposit date:2012-12-29
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHLORIDE ION, SUCCINIC ACID, TRAP dicarboxylate transporter, ...
Authors: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)
Deposit date:2014-01-03
Release date:2014-02-05
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, Secreted protease C, ...
Authors:Oberholzer, A.E, Bumann, M, Hege, T, Russo, S, Baumann, U.
Deposit date:2009-05-05
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-05-06
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: INDOMETHACIN, Transthyretin
Authors:Lima, L.M.T.R.
Deposit date:2012-12-25
Release date:2013-01-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CITRIC ACID, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Schmitt, E, Tanrikulu, I.C, Yoo, T.H, Panvert, M, Tirrell, D.A, Mechulam, Y.
Deposit date:2009-04-30
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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+
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Ripening-induced protein, ...
Authors:Schiefner, A, Skerra, A.
Deposit date:2012-12-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Di-tripeptide ABC transporter (Permease), OLEIC ACID, ...
Authors:Doki, S, Kato, H.E, Ishitani, R, Nureki, O.
Deposit date:2012-12-28
Release date:2013-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION
Authors:Harris, S.F, Wong, A.
Deposit date:2012-12-18
Release date:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (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, ...
Authors:Molzan, M, Ottmann, C.
Deposit date:2012-12-19
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Kamata, K, Mitsuya, M.
Deposit date:2009-03-19
Release date:2009-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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
Descriptor: GLYCEROL, Regulatory protein E2, SULFATE ION
Authors:Hooley, E, Brady, R.L, Gaston, K.
Deposit date:2005-09-07
Release date:2006-08-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Eukaryotic translation initiation factor 3 subunit B
Authors:Khoshnevis, S, Neumann, P, Ficner, R.
Deposit date:2010-07-01
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.598 Å)
Cite: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
Descriptor: Thermostable NPPase
Authors:Guo, Z, Huang, J, Wang, F, Qiu, R, Wang, Y, Ji, C.
Deposit date:2012-12-15
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.995 Å)
Cite: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
Descriptor: 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, ...
Authors:Spong, M.C, Qi, Y, Verdine, G.L.
Deposit date:2009-03-20
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Acetylornithine aminotransferase, MAGNESIUM ION
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-12
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:

3GO7
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BU of 3go7 by Molmil
Crystal Structure of M. tuberculosis ribokinase (Rv2436) in complex with ribose
Descriptor: MAGNESIUM ION, RIBOKINASE RBSK, alpha-D-ribofuranose
Authors:Masters, E.I, Sun, Y, Wang, Y, Parker, W.B, Li, R.
Deposit date:2009-03-18
Release date:2010-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, ...
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2012-12-15
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4318 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5, ...
Authors: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)
Deposit date:2014-01-09
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor: Intersectin-1, UNKNOWN ATOM OR ION, peptide ligand
Authors: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)
Deposit date:2012-12-20
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ATP-dependent Clp protease adapter protein clpS
Authors:Baker, T.A, Roman-Hernandez, G, Sauer, R.T, Grant, R.A.
Deposit date:2009-03-23
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.066 Å)
Cite: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+
Descriptor: 3-ketoacyl-acyl carrier protein reductase (FabG), ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors: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)
Deposit date:2012-12-20
Release date:2013-01-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: COBALT (II) ION, PHOSPHATE ION, Preneck appendage protein
Authors:Xiang, Y, Rossmann, M.G.
Deposit date:2009-03-24
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic insights into the autocatalytic assembly mechanism of a bacteriophage tail spike.
Mol.Cell, 34, 2009

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