1Q44
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![BU of 1q44 by Molmil](/molmil-images/mine/1q44) | Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase | Descriptor: | MALONIC ACID, Steroid Sulfotransferase | Authors: | Phillips Jr, G.N, Smith, D.W, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2003-08-01 | Release date: | 2003-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana Proteins, 57, 2004
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4MW1
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![BU of 4mw1 by Molmil](/molmil-images/mine/4mw1) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444) | Descriptor: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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2X3T
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![BU of 2x3t by Molmil](/molmil-images/mine/2x3t) | Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide | Descriptor: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ... | Authors: | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | Deposit date: | 2010-01-26 | Release date: | 2010-06-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.749 Å) | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
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3DL6
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![BU of 3dl6 by Molmil](/molmil-images/mine/3dl6) | Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... | Authors: | Martucci, W.E, Vargo, M.A, Anderson, K.S. | Deposit date: | 2008-06-26 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Biochemistry, 47, 2008
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2X1C
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![BU of 2x1c by Molmil](/molmil-images/mine/2x1c) | The crystal structure of precursor acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum | Descriptor: | ACYL-COENZYME, CHLORIDE ION, GLYCEROL, ... | Authors: | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | Deposit date: | 2009-12-23 | Release date: | 2010-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme. Structure, 18, 2010
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1D97
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![BU of 1d97 by Molmil](/molmil-images/mine/1d97) | CHIRAL PHOSPHOROTHIOATE ANALOGUES OF B-DNA: THE CRYSTAL STRUCTURE OF RP-D(GP(S) CPGP(S)CPGP(S)C) | Descriptor: | DNA (5'-D(RP*GP*(SC)P*GP*(SC)P*GP*(SC))-3') | Authors: | Cruse, W.B.T, Salisbury, S.A, Brown, T, Cosstick, R, Eckstein, F, Kennard, O. | Deposit date: | 1992-10-17 | Release date: | 1993-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Chiral phosphorothioate analogues of B-DNA. The crystal structure of Rp-d[Gp(S)CpGp(S)CpGp(S)C]. J.Mol.Biol., 192, 1986
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1U8R
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![BU of 1u8r by Molmil](/molmil-images/mine/1u8r) | Crystal Structure of an IdeR-DNA Complex Reveals a Conformational Change in Activated IdeR for Base-specific Interactions | Descriptor: | COBALT (II) ION, Iron-dependent repressor ideR, SODIUM ION, ... | Authors: | Wisedchaisri, G, Holmes, R.K, Hol, W.G.J. | Deposit date: | 2004-08-06 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of an IdeR-DNA Complex Reveals a Conformational Change in Activated IdeR for Base-specific Interactions. J.Mol.Biol., 342, 2004
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6D0P
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![BU of 6d0p by Molmil](/molmil-images/mine/6d0p) | 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Kiryukhina, O, Endres, M, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-10 | Release date: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii To be Published
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1RQC
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![BU of 1rqc by Molmil](/molmil-images/mine/1rqc) | Crystals of peptide deformylase from Plasmodium falciparum with ten subunits per asymmetric unit reveal critical characteristics of the active site for drug design | Descriptor: | COBALT (II) ION, formylmethionine deformylase | Authors: | Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G. | Deposit date: | 2003-12-04 | Release date: | 2004-01-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | An improved crystal form of Plasmodium falciparum peptide deformylase Protein Sci., 13, 2004
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1RHU
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![BU of 1rhu by Molmil](/molmil-images/mine/1rhu) | CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR | Descriptor: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 | Authors: | Becker, J.W, Rotonda, J, Soisson, S.M. | Deposit date: | 2003-11-14 | Release date: | 2004-05-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis. J.Med.Chem., 47, 2004
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6I53
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![BU of 6i53 by Molmil](/molmil-images/mine/6i53) | Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | Authors: | Laverty, D, Desai, R, Uchanski, T, Masiulis, S, Wojciech, J.S, Malinauskas, T, Zivanov, J, Pardon, E, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-11-12 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the human alpha 1 beta 3 gamma 2 GABAAreceptor in a lipid bilayer. Nature, 565, 2019
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5DOY
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![BU of 5doy by Molmil](/molmil-images/mine/5doy) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic Hygromycin A, mRNA and three tRNAs in the A, P and E sites at 2.6A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | Authors: | Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N. | Deposit date: | 2015-09-11 | Release date: | 2015-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A. Mol.Cell, 58, 2015
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1CSB
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![BU of 1csb by Molmil](/molmil-images/mine/1csb) | |
3HJV
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![BU of 3hjv by Molmil](/molmil-images/mine/3hjv) | 1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961 | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, Malonyl Coa-acyl carrier protein transacylase, ... | Authors: | Halavaty, A.S, Wawrzak, Z, Anderson, S, Skarina, T, Onopriyenko, O, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-05-22 | Release date: | 2009-06-09 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961 To be Published
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1DYE
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![BU of 1dye by Molmil](/molmil-images/mine/1dye) | |
1PPR
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![BU of 1ppr by Molmil](/molmil-images/mine/1ppr) | PERIDININ-CHLOROPHYLL-PROTEIN OF AMPHIDINIUM CARTERAE | Descriptor: | CHLOROPHYLL A, DIGALACTOSYL DIACYL GLYCEROL (DGDG), PERIDININ, ... | Authors: | Hofmann, E, Welte, W, Diederichs, K. | Deposit date: | 1996-03-06 | Release date: | 1997-08-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of light harvesting by carotenoids: peridinin-chlorophyll-protein from Amphidinium carterae. Science, 272, 1996
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1PMA
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![BU of 1pma by Molmil](/molmil-images/mine/1pma) | PROTEASOME FROM THERMOPLASMA ACIDOPHILUM | Descriptor: | PROTEASOME | Authors: | Loewe, J, Stock, D, Jap, B, Zwickl, P, Baumeister, W, Huber, R. | Deposit date: | 1994-12-19 | Release date: | 1996-06-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of the 20S proteasome from the archaeon T. acidophilum at 3.4 A resolution. Science, 268, 1995
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2WHE
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![BU of 2whe by Molmil](/molmil-images/mine/2whe) | Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands. | Descriptor: | BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-05-04 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic Details of Near-Transition State Conformers for Enzyme Phosphoryl Transfer Revealed by Mgf-3 Rather Than by Phosphoranes. Proc.Natl.Acad.Sci.USA, 107, 2010
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1PWY
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![BU of 1pwy by Molmil](/molmil-images/mine/1pwy) | CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH ACYCLOVIR | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Dos Santos, D.M, Canduri, F, Pereira, J.H, Vinicius Bertacine Dias, M, Silva, R.G, Mendes, M.A, Palma, M.S, Basso, L.A, De Azevedo, W.F, Santos, D.S. | Deposit date: | 2003-07-02 | Release date: | 2004-03-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human purine nucleoside phosphorylase complexed with acyclovir. Biochem.Biophys.Res.Commun., 308, 2003
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1DYB
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![BU of 1dyb by Molmil](/molmil-images/mine/1dyb) | |
4N9E
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![BU of 4n9e by Molmil](/molmil-images/mine/4n9e) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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6B0D
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![BU of 6b0d by Molmil](/molmil-images/mine/6b0d) | An E. coli DPS protein from ferritin superfamily | Descriptor: | DNA protection during starvation protein, FORMIC ACID, SODIUM ION | Authors: | Rui, W, Ruslan, S, Ronan, K, Adam, J.S. | Deposit date: | 2017-09-14 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | SIMBAD: a sequence-independent molecular-replacement pipeline. Acta Crystallogr D Struct Biol, 74, 2018
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4DLM
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![BU of 4dlm by Molmil](/molmil-images/mine/4dlm) | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121 | Descriptor: | Amidohydrolase 2, ZINC ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-02-06 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121 to be published
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3GED
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![BU of 3ged by Molmil](/molmil-images/mine/3ged) | Fingerprint and Structural Analysis of a Apo SCOR enzyme from Clostridium thermocellum | Descriptor: | GLYCEROL, SODIUM ION, Short-chain dehydrogenase/reductase SDR, ... | Authors: | Huether, R, Liu, Z.J, Xu, H, Wang, B.C, Pletnev, V, Mao, Q, Umland, T, Duax, W. | Deposit date: | 2009-02-25 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins, 78, 2010
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3GEU
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![BU of 3geu by Molmil](/molmil-images/mine/3geu) | Crystal Structure of IcaR from Staphylococcus aureus, a member of the tetracycline repressor protein family | Descriptor: | CHLORIDE ION, FORMIC ACID, Intercellular adhesion protein R, ... | Authors: | Anderson, S.M, Brunzelle, J.S, Wawrzak, Z, Skarina, T, Papazisi, L, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-02-26 | Release date: | 2009-03-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of IcaR from Staphylococcus aureus, a member of the tetracycline repressor protein family To be Published
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