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4B10
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BU of 4b10 by Molmil
Plasmodium vivax N-myristoyltransferase with a non-hydrolysable co- factor
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-07-06
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
4MZR
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BU of 4mzr by Molmil
Crystal structure of a polypeptide p53 mutant bound to DNA
Descriptor: Cellular tumor antigen p53, ZINC ION, consensus DNA anti-sense strand, ...
Authors:Emamzadah, S.T, Tropia, L, Vincenti, I, Falquet, B, Halazonetis, T.D.
Deposit date:2013-09-30
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Reversal of the DNA-Binding-Induced Loop L1 Conformational Switch in an Engineered Human p53 Protein.
J.Mol.Biol., 426, 2014
2ZAA
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BU of 2zaa by Molmil
Crystal Structure of Family 7 Alginate Lyase A1-II' H191N/Y284F in Complex with Substrate (GGMG)
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, Alginate lyase, GLYCEROL
Authors:Ogura, K, Yamasaki, M, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2007-10-02
Release date:2008-05-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate Recognition in Tunnel of Family 7 Alginate Lyase from Sphingomonas sp. A1
To be Published
4B12
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BU of 4b12 by Molmil
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)
Descriptor: 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
Authors:Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2012-07-06
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
3QBW
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BU of 3qbw by Molmil
Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to adenosine diphosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Anhydro-N-acetylmuramic acid kinase, SULFATE ION
Authors:Bacik, J.P, Martin, D.R, Mark, B.L.
Deposit date:2011-01-14
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase.
J.Biol.Chem., 286, 2011
3QHM
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BU of 3qhm by Molmil
Crystal analysis of the complex structure, E342A-cellotetraose, of endocellulase from pyrococcus horikoshii
Descriptor: 458aa long hypothetical endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Kim, H.-W, Ishikawa, K.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
4BVE
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BU of 4bve by Molmil
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE
Descriptor: 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ...
Authors:Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-06-25
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
5VOG
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BU of 5vog by Molmil
Crystal Structure of a Hypothetical Protein from Neisseria gonorrhoeae with bound ppGpp
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-02
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of a Hypothetical Protein from Neisseria gonorrhoeae with bound ppGpp
to be published
4CAF
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BU of 4caf by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a)
Descriptor: 2-oxopentadecyl-CoA, 4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine, AMMONIUM ION, ...
Authors:Rackham, M.D, Brannigan, J.A, Rangachari, K, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2013-10-08
Release date:2014-04-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp).
J.Med.Chem., 57, 2014
3CUI
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BU of 3cui by Molmil
Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with sulfur substituted beta-1,4 xylotetraose
Descriptor: Exo-beta-1,4-glucanase, beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose-(1-4)-4-thio-beta-D-xylopyranose
Authors:Kuntz, D.A, Saul, M, Rose, D.R.
Deposit date:2008-04-16
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the binding sites of Family 10 and 11 Xylanases with extended Oligosaccharides
to be published
4P2Z
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BU of 4p2z by Molmil
Structure of NavMS T207A/F214A
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Bagneris, C, Naylor, C.E, Wallace, B.A.
Deposit date:2014-03-05
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MCR
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BU of 4mcr by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyltri-gamma-L-glutamic acid (pteroyltetra-gamma-L-glutamic acid)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Navratil, M, Barinka, C, Lubkowski, J.
Deposit date:2013-08-21
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
3QHO
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BU of 3qho by Molmil
Crystal analysis of the complex structure, Y299F-cellotetraose, of endocellulase from pyrococcus horikoshii
Descriptor: 458aa long hypothetical endo-1,4-beta-glucanase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Kim, H.-W, Ishikawa, K.
Deposit date:2011-01-26
Release date:2012-02-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
6ON4
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BU of 6on4 by Molmil
Crystal structure of the GntR-type sialoregulator NanR from Escherichia coli, in complex with sialic acid
Descriptor: HTH-type transcriptional repressor NanR, N-acetyl-beta-neuraminic acid, ZINC ION, ...
Authors:Horne, C.R, Panjikar, S, North, R.A, Dobson, R.C.J.
Deposit date:2019-04-19
Release date:2020-07-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Control of the Escherichia coli sialoregulon by transcriptional repressor NanR.
J. Bacteriol., 195, 2013
7ADH
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BU of 7adh by Molmil
THREE-DIMENSIONAL STRUCTURE OF ISONICOTINIMIDYLATED LIVER ALCOHOL DEHYDROGENASE
Descriptor: ISONICOTINAMIDINE, ISONICOTINIMIDYLATED LIVER ALCOHOL DEHYDROGENASE, ZINC ION
Authors:Plapp, B, Eklund, H.
Deposit date:1984-01-16
Release date:1984-07-18
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Three-dimensional structure of isonicotinimidylated liver alcohol dehydrogenase.
J.Biol.Chem., 258, 1983
6IRA
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BU of 6ira by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2019-06-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6ADH
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BU of 6adh by Molmil
STRUCTURE OF TRICLINIC TERNARY COMPLEX OF HORSE LIVER ALCOHOL DEHYDROGENASE AT 2.9 ANGSTROMS RESOLUTION
Descriptor: DIMETHYL SULFOXIDE, HOLO-LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Eklund, H.
Deposit date:1984-01-16
Release date:1984-07-18
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 A resolution.
J.Mol.Biol., 146, 1981
8QC2
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BU of 8qc2 by Molmil
Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ and sulfoquinovose (SQ)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Pickles, I.B, Sharma, M, Davies, G.J.
Deposit date:2023-08-25
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
3IIQ
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BU of 3iiq by Molmil
Crystallographic analysis of bacterial signal peptidase in ternary complex with Arylomycin A2 and a beta-sultam inhibitor
Descriptor: 10-METHYLUNDECANOIC ACID, 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine, ACETONITRILE, ...
Authors:Paetzel, M.
Deposit date:2009-08-03
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Analysis of Bacterial Signal Peptidase in Ternary Complex with Arylomycin A2 and a Beta-Sultam Inhibitor.
Biochemistry, 48, 2009
8QC6
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BU of 8qc6 by Molmil
Crystal Structure of NAD-dependent glycoside hydrolase from Arthrobacter sp. U41 in complex with NAD+ and sulfoquinovose (SQ)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, sulfoquinovose
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-25
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism.
J.Am.Chem.Soc., 145, 2023
6EDK
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BU of 6edk by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis with N10-formyltetrahydrofolate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Formyltransferase PseJ, N-{4-[{[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid, ...
Authors:Reimer, J.M, Harb, I, Schmeing, T.M.
Deposit date:2018-08-09
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
4HTG
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BU of 4htg by Molmil
Porphobilinogen Deaminase from Arabidopsis Thaliana
Descriptor: 3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid, ACETATE ION, Porphobilinogen deaminase, ...
Authors:Roberts, A, Gill, R, Hussey, R.J, Erskine, P.T, Cooper, J.B, Wood, S.P, Chrystal, E.J.T, Shoolingin-Jordan, P.M.
Deposit date:2012-11-01
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insights into the mechanism of pyrrole polymerization catalysed by porphobilinogen deaminase: high-resolution X-ray studies of the Arabidopsis thaliana enzyme.
Acta Crystallogr.,Sect.D, 69, 2013
6ZTK
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BU of 6ztk by Molmil
Crystal structure of Mialostatin, a gut cystatin from the hard tick Ixodes ricinus
Descriptor: FRAGMENT OF TRITON X-100, Mialostatin, SULFATE ION
Authors:Busa, M, Rezacova, P, Mares, M.
Deposit date:2020-07-20
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mialostatin, a Novel Midgut Cystatin from Ixodes ricinus Ticks: Crystal Structure and Regulation of Host Blood Digestion.
Int J Mol Sci, 22, 2021
1TTC
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BU of 1ttc by Molmil
THE X-RAY CRYSTAL STRUCTURE REFINEMENTS OF NORMAL HUMAN TRANSTHYRETIN AND THE AMYLOIDOGENIC VAL30MET VARIANT TO 1.7 ANGSTROMS RESOLUTION
Descriptor: Transthyretin
Authors:Hamilton, J.A, Steinrauf, L.K, Braden, B.C.
Deposit date:1992-11-02
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The x-ray crystal structure refinements of normal human transthyretin and the amyloidogenic Val-30-->Met variant to 1.7-A resolution.
J.Biol.Chem., 268, 1993
3VR1
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BU of 3vr1 by Molmil
Crystal structure analysis of the translation factor RF3
Descriptor: GUANOSINE-5',3'-TETRAPHOSPHATE, Peptide chain release factor 3
Authors:Kihira, K, Shomura, Y, Shibata, N, Kitamura, M, Higuchi, Y.
Deposit date:2012-04-03
Release date:2012-09-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure analysis of the translation factor RF3 (release factor 3)
Febs Lett., 586, 2012

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