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2ZGP
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BU of 2zgp by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant I25G
Descriptor: Anti-tumor lectin
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGL
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BU of 2zgl by Molmil
Crystal structure of recombinant Agrocybe aegerita (rAAL)
Descriptor: Anti-tumor lectin
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
3C8Z
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BU of 3c8z by Molmil
The 1.6 A Crystal Structure of MshC: The Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE, Cysteinyl-tRNA synthetase, ...
Authors:Tremblay, L.W, Fan, F, Vetting, M.W, Blanchard, J.S.
Deposit date:2008-02-14
Release date:2008-12-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6 A crystal structure of Mycobacterium smegmatis MshC: the penultimate enzyme in the mycothiol biosynthetic pathway.
Biochemistry, 47, 2008
8WQL
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BU of 8wql by Molmil
In situ PBS-PSII supercomplex from cyanobacterial Spirulina platensis
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:You, X, Zhang, X, Xiao, Y.N, Sun, S, Sui, S.F.
Deposit date:2023-10-11
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of in situ PBS-PSII supercomplex at 3.5 Angstroms resolution.
To Be Published
4OYT
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BU of 4oyt by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid
Descriptor: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-02-13
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
4GCX
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BU of 4gcx by Molmil
tRNA-guanine transglycosylase Y106F, C158V, V233G mutant in complex with preQ1
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Schmidt, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
Deposit date:2012-07-31
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
4GFX
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BU of 4gfx by Molmil
Crystal structure of the N-terminal domain of TXNIP
Descriptor: GLYCEROL, Thioredoxin-interacting protein
Authors:Hwang, J, Kim, M.H.
Deposit date:2012-08-04
Release date:2014-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein.
Nat Commun, 5, 2014
3E9J
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BU of 3e9j by Molmil
Structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB
Descriptor: Thiol/disulfide oxidoreductase DsbA, Thiol/disulfide oxidoreductase DsbB, UBIQUINONE-1
Authors:Malojcic, G, Owen, R.L, Glockshuber, R.
Deposit date:2008-08-22
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Preparation and structure of the charge-transfer intermediate of the transmembrane redox catalyst DsbB.
Febs Lett., 582, 2008
4OZS
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BU of 4ozs by Molmil
RNA binding protein
Descriptor: Alpha solenoid protein
Authors:Gully, B.S, Bond, C.S.
Deposit date:2014-02-19
Release date:2015-04-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The design and structural characterization of a synthetic pentatricopeptide repeat protein.
Acta Crystallogr.,Sect.D, 71, 2015
4FX7
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BU of 4fx7 by Molmil
Structure of Sym2 D9V+D55V+D130V+D176V
Descriptor: HYDROGENPHOSPHATE ION, Imidazole glycerol phosphate synthase subunit HisF
Authors:Sterner, R, Sperl, J.M, Rajendran, C.
Deposit date:2012-07-02
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.076 Å)
Cite:Structure of Sym2 D9V+D55V+D130V+D176V
To be Published
4FZB
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BU of 4fzb by Molmil
Structure of thymidylate synthase ThyX complexed to a new inhibitor
Descriptor: 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Basta, T, Boum, Y, Briffotaux, J, Becker, H.F, Lamarre-Jouenne, I, Lambry, J.C, Skouloubris, S, Liebl, U, van Tilbeurgh, H, Graille, M, Myllylkallio, H.
Deposit date:2012-07-06
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Mechanistic and structural basis for inhibition of thymidylate synthase ThyX.
Open Biology, 2, 2012
6II7
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BU of 6ii7 by Molmil
Crystal structure of Plasmodium falciparum adenosine deaminase C27Q+L227I mutant co-complexed with Zn ion, hypoxanthine and inosine
Descriptor: Adenosine deaminase, HYPOXANTHINE, INOSINE, ...
Authors:Chitnumsub, P, Jaruwat, A.
Deposit date:2018-10-03
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of Plasmodium falciparum adenosine deaminase reveals a novel binding pocket for inosine.
Arch. Biochem. Biophys., 667, 2019
3E9R
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BU of 3e9r by Molmil
Crystal structure of purine nucleoside phosphorylase from Schistosoma mansoni in complex with adenine
Descriptor: ACETATE ION, ADENINE, DIMETHYL SULFOXIDE, ...
Authors:Pereira, H.M, Rezende, M.M, Oliva, G, Garratt, R.C.
Deposit date:2008-08-23
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Adenosine binding to low-molecular-weight purine nucleoside phosphorylase: the structural basis for recognition based on its complex with the enzyme from Schistosoma mansoni.
Acta Crystallogr.,Sect.D, 66, 2010
4PBR
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BU of 4pbr by Molmil
Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF)
Descriptor: 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Cooley, R.B, Karplus, P.A, Mehl, R.A.
Deposit date:2014-04-13
Release date:2014-07-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
4PFN
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BU of 4pfn by Molmil
Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-04-30
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
3FB1
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BU of 3fb1 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase in Complex with Ribose-1-Phosphate
Descriptor: 1-O-phosphono-alpha-D-ribofuranose, ACETATE ION, Purine-nucleoside phosphorylase
Authors:Pereira, H.M, Garratt, R.C, Oliva, G.
Deposit date:2008-11-18
Release date:2009-11-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Purine nucleoside phosphorylase from Schistosoma mansoni in complex with ribose-1-phosphate.
J.Synchrotron Radiat., 18, 2011
4HLI
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BU of 4hli by Molmil
DNA dodecamer containing 5-hydroxymethyl-cytosine
Descriptor: DNA (5'-D(*CP*GP*(5HC)P*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, POTASSIUM ION
Authors:Spingler, B, Renciuk, D, Vorlickova, M.
Deposit date:2012-10-17
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structures of B-DNA dodecamer containing the epigenetic modifications 5-hydroxymethylcytosine or 5-methylcytosine.
Nucleic Acids Res., 41, 2013
4Q1C
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BU of 4q1c by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol}
Descriptor: 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
6J48
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BU of 6j48 by Molmil
Glycine mutation on single layer beta-sheet of OspAsm1
Descriptor: Outer surface protein A, TETRAETHYLENE GLYCOL
Authors:Makabe, K, Hori, Y.
Deposit date:2019-01-08
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Grafting a short chameleon sequence from alpha B crystallin into a beta-sheet scaffold protein.
Proteins, 87, 2019
4Q1F
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BU of 4q1f by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}
Descriptor: Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q7E
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BU of 4q7e by Molmil
Non-phosphorylated HemR Receiver Domain from Leptospira biflexa
Descriptor: GLYCEROL, Response regulator of a two component regulatory system, SULFATE ION
Authors:Morero, N.R, Buschiazzo, A.
Deposit date:2014-04-24
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.441 Å)
Cite:HemR is an OmpR/PhoB-like response regulator from Leptospira, which simultaneously effects transcriptional activation and repression of key haem metabolism genes.
Mol.Microbiol., 94, 2014
6J47
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BU of 6j47 by Molmil
OspA variant with a short chameleon sequence from alpha B crystallin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Outer surface protein A, TETRAETHYLENE GLYCOL
Authors:Makabe, K, Hori, Y.
Deposit date:2019-01-08
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Grafting a short chameleon sequence from alpha B crystallin into a beta-sheet scaffold protein.
Proteins, 87, 2019
4HZC
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BU of 4hzc by Molmil
Crystal structure of Serine acetyltransferase from Brucella abortus strain S19
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CysE, ...
Authors:Kumar, S, Samudrala, G.
Deposit date:2012-11-15
Release date:2014-02-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of serine acetyl transferase from Brucella abortus and its complex with coenzyme A.
Biochim.Biophys.Acta, 1844, 2014
4HZD
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BU of 4hzd by Molmil
Crystal structure of Serine acetyltransferase in complex with Coenzyme A from Brucella abortus strain S19
Descriptor: COENZYME A, CysE, serine acetyltransferase, ...
Authors:Kumar, S, Samudrala, G.
Deposit date:2012-11-15
Release date:2014-02-19
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of serine acetyl transferase from Brucella abortus and its complex with coenzyme A.
Biochim.Biophys.Acta, 1844, 2014
4Q1D
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BU of 4q1d by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
Descriptor: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014

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