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3M4T
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BU of 3m4t by Molmil
Crystal structure of the BTB domain from Kaiso/ZBTB33, form I
Descriptor: SULFATE ION, Transcriptional regulator Kaiso
Authors:Stogios, P.J, Chen, L, Prive, G.G.
Deposit date:2010-03-11
Release date:2011-04-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the BTB domain from Kaiso/ZBTB33, form I
TO BE PUBLISHED
3M1J
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BU of 3m1j by Molmil
The crystal structure of a NAMI A-Carbonic Anhydrase II adduct discloses the mode of action of this novel anticancer metallodrug
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
Authors:Temperini, C, Messori, L.
Deposit date:2010-03-05
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The x-ray structure of the adduct between NAMI-A and carbonic anhydrase provides insights into the reactivity of this metallodrug with proteins
Chemmedchem, 5, 2010
3M1R
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BU of 3m1r by Molmil
The crystal structure of formimidoylglutamase from Bacillus subtilis subsp. subtilis str. 168
Descriptor: CACODYLATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Tan, K, Bigelow, L, Trevino, D, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-05
Release date:2010-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:The crystal structure of formimidoylglutamase from Bacillus subtilis subsp. subtilis str. 168
To be Published
5AFV
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BU of 5afv by Molmil
Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.
Descriptor: 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, CHOLINE KINASE ALPHA
Authors:Serran-Aguilera, L, Nuti, R, Lopez-Cara, L.C, Gallo Mezo, M.A, Macchiarulo, A, Entrena, A, Hurtado-Guerrero, R.
Deposit date:2015-01-26
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1
Mol Inform, 34, 2015
5AG8
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BU of 5ag8 by Molmil
CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB
Descriptor: GINGIPAIN R2, GLYCEROL, SULFATE ION
Authors:de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J.
Deposit date:2015-01-29
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
4ZXW
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BU of 4zxw by Molmil
Crystal structure of SgcC5 protein from Streptomyces globisporus (complex with (R)-(-)-1-(2-naphthyl)-1,2-ethanediol and sucrose)
Descriptor: (1R)-1-(naphthalen-2-yl)ethane-1,2-diol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-domain type II peptide synthetase, ...
Authors:Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-05-20
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Crystal structure of SgcC5 protein from Streptomyces globisporus
To Be Published
4ZZF
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BU of 4zzf by Molmil
Crystal structure of truncated FlgD (tetragonal form) from the human pathogen Helicobacter pylori
Descriptor: Flagellar basal body rod modification protein
Authors:Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G.
Deposit date:2015-05-22
Release date:2016-02-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1673 Å)
Cite:Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori.
J.Struct.Biol., 194, 2016
3MDB
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BU of 3mdb by Molmil
Crystal structure of the ternary complex of full length centaurin alpha-1, KIF13B FHA domain, and IP4
Descriptor: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, Arf-GAP with dual PH domain-containing protein 1, Kinesin-like protein KIF13B, ...
Authors:Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-30
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Crystal structure of the ternary complex of full length centaurin alpha-1, KIF13B FHA domain, and IP4
to be published
4ZW0
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BU of 4zw0 by Molmil
Crystal structure of beta-Hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Candidatus asiaticum
Descriptor: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
Authors:Wang, S, Gao, Z, Jiang, L, Dong, Y.H.
Deposit date:2015-05-19
Release date:2015-12-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Beta-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ) from Candidatus Liberibacter Asiaticum: Protein Characterization and Structural Modeling
Austin J Microbiol., 1, 2015
3MEK
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BU of 3mek by Molmil
Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine
Descriptor: S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ZINC ION
Authors:Lam, R, Dombrovski, L, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine
To be Published
3MFM
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BU of 3mfm by Molmil
Crystal Structures and Mutational Analyses of Acyl-CoA Carboxylase Subunit of Streptomyces coelicolor
Descriptor: Propionyl-CoA carboxylase complex B subunit
Authors:Diacovich, L, Arabolaza, A, Shillito, E.M, Lin, T.-W, Mitchell, D.L, Melgar, M.M.
Deposit date:2010-04-02
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structures and mutational analyses of acyl-CoA carboxylase beta subunit of Streptomyces coelicolor.
Biochemistry, 49, 2010
3MIL
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BU of 3mil by Molmil
Crystal structure of isoamyl acetate-hydrolyzing esterase from Saccharomyces cerevisiae
Descriptor: GLYCEROL, Isoamyl acetate-hydrolyzing esterase
Authors:Ma, J, Lu, Q, Yuan, Y, Li, K, Ge, H, Go, Y, Niu, L, Teng, M.
Deposit date:2010-04-11
Release date:2010-11-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of isoamyl acetate-hydrolyzing esterase from Saccharomyces cerevisiae reveals a novel active site architecture and the basis of substrate specificity
Proteins, 79, 2011
5A6U
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BU of 5a6u by Molmil
Native mammalian ribosome-bound Sec61 protein-conducting channel in the 'non-inserting' state
Descriptor: SEC61A, SEC61B, SEC61G
Authors:Pfeffer, S, Burbaum, L, Unverdorben, P, Pech, M, Chen, Y, Zimmermann, R, Beckmann, R, Foerster, F.
Deposit date:2015-07-01
Release date:2015-10-07
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Structure of the Native Sec61 Protein-Conducting Channel.
Nat.Commun., 6, 2015
5A7U
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BU of 5a7u by Molmil
Single-particle cryo-EM of co-translational folded adr1 domain inside the E. coli ribosome exit tunnel.
Descriptor: REGULATORY PROTEIN ADR1, ZINC ION
Authors:Nilsson, O.B, Hedman, R, Marino, J, Wickles, S, Bischoff, L, Johansson, M, Muller-Lucks, A, Trovato, F, Puglisi, J.D, O'Brien, E, Beckmann, R, von Heijne, G.
Deposit date:2015-07-10
Release date:2015-09-16
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cotranslational Protein Folding Inside the Ribosome Exit Tunnel.
Cell Rep., 12, 2015
5AEW
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BU of 5aew by Molmil
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400 in complex with biphenyl
Descriptor: BIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
Authors:Dhindwal, S, Gomez-Gil, L, Sylvestre, M, Eltis, L.D, Bolin, J.T, Kumar, P.
Deposit date:2015-01-10
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of the Enhanced Pollutant-Degrading Capabilities of an Engineered Biphenyl Dioxygenase.
J.Bacteriol., 198, 2016
3MPR
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BU of 3mpr by Molmil
Crystal Structure of endonuclease/exonuclease/phosphatase family protein from Bacteroides thetaiotaomicron, Northeast Structural Genomics Consortium Target BtR318A
Descriptor: ACETIC ACID, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuzin, A, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-27
Release date:2010-05-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Northeast Structural Genomics Consortium Target BtR318A
To be Published
5A5U
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BU of 5a5u by Molmil
Structure of mammalian eIF3 in the context of the 43S preinitiation complex
Descriptor: EUKARYOTIC INITIATION FACTOR 3, EUKARYOTIC TRANSLATION INITIATION FACTOR 3 SUBUNIT B, EUKARYOTIC TRANSLATION INITIATION FACTOR 3 SUBUNIT I
Authors:des-Georges, A, Dhote, V, Kuhn, L, Hellen, C.U.T, Pestova, T.V, Frank, J, Hashem, Y.
Deposit date:2015-06-21
Release date:2015-09-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Structure of Mammalian Eif3 in the Context of the 43S Preinitiation Complex.
Nature, 525, 2015
3M1S
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BU of 3m1s by Molmil
Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3
Descriptor: Glycogen synthase kinase-3 beta, Ruthenium pyridocarbazole
Authors:Atilla-Gokcumen, G.E, Di Costanzo, L, Zimmermann, G, Meggers, E.
Deposit date:2010-03-05
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.134 Å)
Cite:Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3beta
J.Biol.Inorg.Chem., 16, 2011
3M3C
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BU of 3m3c by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with p-Nitrophenyl TF disaccharide
Descriptor: Anti-tumor lectin, P-NITROPHENOL, SULFATE ION, ...
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
5AKY
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BU of 5aky by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-(2-phenylethyl)-1H-indazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-05
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5A4U
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BU of 5a4u by Molmil
AtGSTF2 from Arabidopsis thaliana in complex with indole-3-aldehyde
Descriptor: 1H-INDOLE-3-CARBALDEHYDE, ACETATE ION, GLUTATHIONE S-TRANSFERASE F2
Authors:Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G.
Deposit date:2015-06-15
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
5AKU
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BU of 5aku by Molmil
Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one
Descriptor: 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-05
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
3M52
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BU of 3m52 by Molmil
Crystal structure of the BTB domain from the Miz-1/ZBTB17 transcription regulator
Descriptor: ACETATE ION, ZINC ION, Zinc finger and BTB domain-containing protein 17
Authors:Stogios, P.J, Cuesta-Seijo, J.A, Chen, L, Prive, G.G.
Deposit date:2010-03-12
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Insights into Strand Exchange in BTB Domain Dimers from the Crystal Structures of FAZF and Miz1.
J.Mol.Biol., 400, 2010
5AK5
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BU of 5ak5 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-02
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AK6
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BU of 5ak6 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-02
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015

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