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5OKA
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BU of 5oka by Molmil
Non-conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus
Descriptor: GLYCEROL, IMIDAZOLE, Putative 6-phospho-beta-galactobiosidase
Authors:Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2017-07-25
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
5OL0
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BU of 5ol0 by Molmil
Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide
Descriptor: Cellular tumor antigen p53, Putative silent information regulator 2,Putative silent information regulator 2, ZINC ION
Authors:Ronin, C, Ciesielski, F, Ciapetti, P.
Deposit date:2017-07-26
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design.
PLoS ONE, 13, 2018
5OFJ
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BU of 5ofj by Molmil
Crystal structure of N-terminal domain of bifunctional CbXyn10C
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Glycoside hydrolase family 48
Authors:Hakulinen, N, Penttinen, L, Rouvinen, J.
Deposit date:2017-07-11
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
5OLD
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BU of 5old by Molmil
X-ray structure of the adduct formed upon reaction of ribonuclease A with a tetranuclear Pt-thiosemicarbazone compound
Descriptor: DIMETHYL SULFOXIDE, PLATINUM (II) ION, Ribonuclease pancreatic
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-07-27
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Reactions of a tetranuclear Pt-thiosemicarbazone complex with model proteins.
J. Inorg. Biochem., 181, 2018
5OLK
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BU of 5olk by Molmil
Crystal structure of the ATP-cone-containing NrdB from Leeuwenhoekiella blandensis
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Hasan, M, Grinberg, A.R, Sjoberg, B.M, Logan, D.T.
Deposit date:2017-07-28
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Novel ATP-cone-driven allosteric regulation of ribonucleotide reductase via the radical-generating subunit.
Elife, 7, 2018
521P
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BU of 521p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION
Authors:Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
5OH7
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BU of 5oh7 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Imidazolidine-2,4-dione (Hydantoin)
Descriptor: Cereblon isoform 4, ZINC ION, imidazolidine-2,4-dione
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5A0P
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BU of 5a0p by Molmil
Apo-structure of metalloprotease Zmp1 from Clostridium difficile
Descriptor: ZINC ION, ZINC METALLOPROTEASE ZMP1
Authors:Schacherl, M, Pichlo, C, Neundorf, I, Baumann, U.
Deposit date:2015-04-22
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Structural Basis of Proline-Proline Peptide Bond Specificity of the Metalloprotease Zmp1 Implicated in Motility of Clostridium Difficile.
Structure, 23, 2015
5OI7
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BU of 5oi7 by Molmil
Human CEP85 - coiled coil domain 4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Centrosomal protein of 85 kDa
Authors:van Breugel, M.
Deposit date:2017-07-18
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly.
Nat Commun, 9, 2018
5OJ7
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BU of 5oj7 by Molmil
Sirtuin 4 orthologue from Xenopus Tropicalis in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NAD-dependent protein deacylase, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-07-20
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5OJL
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BU of 5ojl by Molmil
Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, 5-methyl-7~{H}-benzo[d][2]benzazepine, Imine reductase
Authors:Sharma, M, Grogan, G.
Deposit date:2017-07-21
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biocatalytic Routes to Enantiomerically Enriched Dibenz[c,e]azepines.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OJO
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BU of 5ojo by Molmil
Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-CPS1 peptide
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carbamoyl-phosphate synthase [ammonia], ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-07-22
Release date:2017-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
4UQM
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BU of 4uqm by Molmil
Crystal structure determination of uracil-DNA N-glycosylase (UNG) from Deinococcus radiodurans in complex with DNA - new insights into the role of the Leucine-loop for damage recognition and repair
Descriptor: 5'-D(*CP*CP*TP*AP*TP*CP*CP*AP*AAB*GP*TP*CP*TP*CP*CP*G)-3', 5'-D(*GP*CP*GP*GP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*AP*G)-3', CHLORIDE ION, ...
Authors:Pedersen, H.L, Johnson, K.A, McVey, C.E, Leiros, I, Moe, E.
Deposit date:2014-06-24
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure determination of uracil-DNA N-glycosylase from Deinococcus radiodurans in complex with DNA.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5OIV
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BU of 5oiv by Molmil
Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D43A variant in complex with serine and glycerol
Descriptor: GLYCEROL, GLYCINE, Hydrolase, ...
Authors:Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B.
Deposit date:2017-07-19
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
5OJF
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BU of 5ojf by Molmil
Crystal Structure of KLC2-TPR domain (fragment [A1-B6]
Descriptor: Kinesin light chain 2
Authors:Nguyen, T.Q, Chenon, M, Vilela, F, Velours, C, Andreani, J, Fernandez-Varela, P, Llinas, P, Menetrey, J.
Deposit date:2017-07-21
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural plasticity of the N-terminal capping helix of the TPR domain of kinesin light chain.
PLoS ONE, 12, 2017
5OJX
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BU of 5ojx by Molmil
Crystal structure of regulator protein 2 (PamR2) from the pamamycin biosynthetic gene cluster of Streptomyces alboniger
Descriptor: TetR family transcription regulator
Authors:Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
Deposit date:2017-07-24
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
5A60
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BU of 5a60 by Molmil
Crystal structure of full-length E. coli ygiF in complex with tripolyphosphate and two magnesium ions
Descriptor: 1,2-ETHANEDIOL, INORGANIC TRIPHOSPHATASE, MAGNESIUM ION, ...
Authors:Martinez, J, Truffault, V, Hothorn, M.
Deposit date:2015-06-23
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015
5OK3
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BU of 5ok3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-07-25
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues.
Chemmedchem, 14, 2019
5OK8
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BU of 5ok8 by Molmil
Crystal structure of protein Lpp20 (HP1456) from Helicobacter pylori
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, LPP20 lipoprotein
Authors:Zanotti, G, Mishra, N, Valesse, F.
Deposit date:2017-07-25
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Helicobacter pylori antigenic Lpp20 is a structural homologue of Tip alpha and promotes epithelial-mesenchymal transition.
Biochim. Biophys. Acta, 1861, 2017
5OL7
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BU of 5ol7 by Molmil
Crystal structure of an inactivated Npu SICLOPPS intein with CFAHPQ extein
Descriptor: CALCIUM ION, COBALT (II) ION, DNA-directed DNA polymerase,DNA-directed DNA polymerase
Authors:Kick, L.M, Schneider, S.
Deposit date:2017-07-26
Release date:2017-09-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation.
Chembiochem, 18, 2017
4WOG
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BU of 4wog by Molmil
Crystal Structure of Frutalin from Artocarpus incisa
Descriptor: Frutalin
Authors:Pereira, H.M, Moreira, A.C.O.M, Vieira Neto, A.E, Moreno, F.B.M.B, Lobo, M.D.P, Sousa, F.D, Grangeiro, T.B, Moreira, R.A.
Deposit date:2014-10-15
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Crystal Structure of Frutalin from Artocarpus incisa
To Be Published
4WQ1
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BU of 4wq1 by Molmil
Complex of 70S ribosome with tRNA-Tyr and mRNA with C-A mismatch in the first position in the A-site.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2014-10-21
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
4GO0
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BU of 4go0 by Molmil
Crystal structure of the c707s mutant of c-terminal domain of 10'formyltetrahydrofolate dehydrogenase in complex with NADPH
Descriptor: Cytosolic 10-formyltetrahydrofolate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Tsybovsky, Y.
Deposit date:2012-08-17
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:The mechanism of discrimination between oxidized and reduced coenzyme in the aldehyde dehydrogenase domain of Aldh1l1.
Chem.Biol.Interact, 202, 2013
4H1S
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BU of 4h1s by Molmil
Crystal Structure of a Truncated Soluble form of Human CD73 with Ecto-5'-Nucleotidase activity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, PHOSPHATE ION, ...
Authors:Heuts, D.P, Weissenborn, M.J, Olkhov, R.V, Shaw, A.M, Levy, C.W, Scrutton, N.S.
Deposit date:2012-09-11
Release date:2012-10-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a soluble form of human CD73 with ecto-5'-nucleotidase activity.
Chembiochem, 13, 2012
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
Descriptor: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2014-10-30
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015

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