3DW4
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![BU of 3dw4 by Molmil](/molmil-images/mine/3dw4) | Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | Deposit date: | 2008-07-21 | Release date: | 2009-03-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures. Rna, 15, 2009
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2Q2H
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![BU of 2q2h by Molmil](/molmil-images/mine/2q2h) | Crystal structure of the protein secretion chaperone CsaA from Agrobacterium tumefaciens with a genetically fused phage-display derived peptide substrate at the N-terminus. | Descriptor: | ACETATE ION, CITRIC ACID, Secretion chaperone, ... | Authors: | Feldman, A.R, Shapova, Y.A, Paetzel, M. | Deposit date: | 2007-05-28 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Phage display and crystallographic analysis reveals potential substrate/binding site interactions in the protein secretion chaperone CsaA from Agrobacterium tumefaciens. J.Mol.Biol., 379, 2008
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3S4P
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![BU of 3s4p by Molmil](/molmil-images/mine/3s4p) | Crystal structure of the bacterial ribosomal decoding site complexed with an amphiphilic paromomycin O2''-ether analogue | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, RNA (5'-R(P*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Szychowski, J, Kondo, J, Zahr, O, Auclair, K, Westhof, E, Hanessian, S, Keillor, J.W. | Deposit date: | 2011-05-20 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Inhibition of aminoglycoside-deactivating enzymes APH(3')-IIIa and AAC(6')-Ii by amphiphilic paromomycin O2''-ether analogues Chemmedchem, 6, 2011
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3SDI
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![BU of 3sdi by Molmil](/molmil-images/mine/3sdi) | Structure of yeast 20S open-gate proteasome with Compound 20 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide, ... | Authors: | Sintchak, M.D. | Deposit date: | 2011-06-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome. Bioorg.Med.Chem.Lett., 20, 2010
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2PG6
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![BU of 2pg6 by Molmil](/molmil-images/mine/2pg6) | Crystal Structure of Human Microsomal P450 2A6 L240C/N297Q | Descriptor: | Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | Deposit date: | 2007-04-06 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants. Arch.Biochem.Biophys., 464, 2007
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3DZ4
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![BU of 3dz4 by Molmil](/molmil-images/mine/3dz4) | Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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2PH9
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![BU of 2ph9 by Molmil](/molmil-images/mine/2ph9) | Galanthamine bound to an ACh-binding Protein | Descriptor: | (-)-GALANTHAMINE, Soluble acetylcholine receptor, TETRAETHYLENE GLYCOL | Authors: | Hansen, S.B, Taylor, P. | Deposit date: | 2007-04-10 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Galanthamine and non-competitive inhibitor binding to ACh-binding protein: evidence for a binding site on non-alpha-subunit interfaces of heteromeric neuronal nicotinic receptors. J.Mol.Biol., 369, 2007
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2PL2
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![BU of 2pl2 by Molmil](/molmil-images/mine/2pl2) | Crystal structure of TTC0263: a thermophilic TPR protein in Thermus thermophilus HB27 | Descriptor: | Hypothetical conserved protein TTC0263 | Authors: | Lim, H, Kim, K, Han, D, Oh, J. | Deposit date: | 2007-04-18 | Release date: | 2008-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of TTC0263, a thermophilic TPR protein from Thermus thermophilus HB27. Mol.Cell, 24, 2007
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3SIE
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![BU of 3sie by Molmil](/molmil-images/mine/3sie) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3DWR
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![BU of 3dwr by Molmil](/molmil-images/mine/3dwr) | |
2Q8H
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![BU of 2q8h by Molmil](/molmil-images/mine/2q8h) | Structure of pyruvate dehydrogenase kinase isoform 1 in complex with dichloroacetate (DCA) | Descriptor: | DICHLORO-ACETIC ACID, POTASSIUM ION, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1 | Authors: | Kato, M, Li, J, Chuang, J.L, Chuang, D.T. | Deposit date: | 2007-06-10 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Distinct Structural Mechanisms for Inhibition of Pyruvate Dehydrogenase Kinase Isoforms by AZD7545, Dichloroacetate, and Radicicol. Structure, 15, 2007
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3DX2
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![BU of 3dx2 by Molmil](/molmil-images/mine/3dx2) | Golgi mannosidase II complex with MANNOSTATIN B | Descriptor: | (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Kuntz, D.A, Zhong, W, Guo, J, Rose, D.R, Boons, G.-J. | Deposit date: | 2008-07-23 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem, 10, 2009
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2Q8Q
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3SA3
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![BU of 3sa3 by Molmil](/molmil-images/mine/3sa3) | Crystal structure of wild-type HIV-1 protease in complex with AG23 | Descriptor: | ACETATE ION, N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-isoleucinamide, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-06-02 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
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3DZ7
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![BU of 3dz7 by Molmil](/molmil-images/mine/3dz7) | Human AdoMetDC with 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3SAB
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![BU of 3sab by Molmil](/molmil-images/mine/3sab) | Crystal structure of wild-type HIV-1 protease in complex with AF78 | Descriptor: | 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-06-02 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
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2PG1
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2PNU
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![BU of 2pnu by Molmil](/molmil-images/mine/2pnu) | Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744 | Descriptor: | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R. | Deposit date: | 2007-04-25 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12. J.Biol.Chem., 282, 2007
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2PGN
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![BU of 2pgn by Molmil](/molmil-images/mine/2pgn) | The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione | Descriptor: | CYCLOHEXANE-1,2-DIONE, Cyclohexane-1,2-dione Hydrolase (Cdh), FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fraas, S, Warkentin, E, Ermler, U. | Deposit date: | 2007-04-10 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione To be Published
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3DZW
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![BU of 3dzw by Molmil](/molmil-images/mine/3dzw) | |
3SMM
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![BU of 3smm by Molmil](/molmil-images/mine/3smm) | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ... | Authors: | Anders, C, Schumacher, B, Ottmann, C. | Deposit date: | 2011-06-28 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem. Biol., 20, 2013
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3SN4
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![BU of 3sn4 by Molmil](/molmil-images/mine/3sn4) | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate To be Published
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3DN7
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![BU of 3dn7 by Molmil](/molmil-images/mine/3dn7) | Cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii. | Descriptor: | 1,2-ETHANEDIOL, Cyclic nucleotide binding regulatory protein, GLYCEROL | Authors: | Osipiuk, J, Maltseva, N, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-07-01 | Release date: | 2008-08-26 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii. To be Published
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3SAA
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![BU of 3saa by Molmil](/molmil-images/mine/3saa) | Crystal structure of Wild-type HIV-1 protease in complex With AF77 | Descriptor: | N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2011-06-02 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
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3X1V
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![BU of 3x1v by Molmil](/molmil-images/mine/3x1v) | |