3KP6
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![BU of 3kp6 by Molmil](/molmil-images/mine/3kp6) | Staphylococcus epidermidis TcaR in complex with salicylate | Descriptor: | 2-HYDROXYBENZOIC ACID, CACODYLATE ION, Transcriptional regulator TcaR | Authors: | Chang, Y.M, Chen, C.K, Yeh, Y.J, Wang, A.H. | Deposit date: | 2009-11-15 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis. Proc.Natl.Acad.Sci.USA, 107, 2010
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2W5U
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![BU of 2w5u by Molmil](/molmil-images/mine/2w5u) | Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium | Authors: | Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J. | Deposit date: | 2008-12-12 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection. Acs Chem.Biol., 4, 2009
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3HZS
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![BU of 3hzs by Molmil](/molmil-images/mine/3hzs) | S. aureus monofunctional glycosyltransferase (MtgA)in complex with moenomycin | Descriptor: | MOENOMYCIN, Monofunctional glycosyltransferase, PHOSPHATE ION | Authors: | Heaslet, H, Miller, A.A, Shaw, B, Mistry, A. | Deposit date: | 2009-06-24 | Release date: | 2009-07-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the active site of S. aureus monofunctional glycosyltransferase (Mtg) by site-directed mutation and structural analysis of the protein complexed with moenomycin J.Struct.Biol., 167, 2009
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2X0E
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![BU of 2x0e by Molmil](/molmil-images/mine/2x0e) | Complex structure of WsaF with dTDP | Descriptor: | GLYCEROL, THYMIDINE-5'-DIPHOSPHATE, WSAF | Authors: | Steiner, K, Hagelueken, G, Naismith, J.H. | Deposit date: | 2009-12-08 | Release date: | 2010-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural Basis of Substrate Binding in Wsaf, a Rhamnosyltransferase from Geobacillus Stearothermophilus. J.Mol.Biol., 397, 2010
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2WRZ
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![BU of 2wrz by Molmil](/molmil-images/mine/2wrz) | Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state | Descriptor: | L-ARABINOSE-BINDING PERIPLASMIC PROTEIN | Authors: | Schreier, B, Stumpp, C, Wiesner, S, Hocker, B. | Deposit date: | 2009-09-03 | Release date: | 2009-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Computational Design of Ligand Binding is not a Solved Problem Proc.Natl.Acad.Sci.USA, 106, 2009
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2X2L
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![BU of 2x2l by Molmil](/molmil-images/mine/2x2l) | Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor | Descriptor: | (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | Authors: | Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q. | Deposit date: | 2010-01-13 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors. Bioorg. Med. Chem., 18, 2010
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2XPU
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![BU of 2xpu by Molmil](/molmil-images/mine/2xpu) | TetR(D) in complex with anhydrotetracycline. | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ... | Authors: | Dalm, D, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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3LPC
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![BU of 3lpc by Molmil](/molmil-images/mine/3lpc) | Crystal structure of a subtilisin-like protease | Descriptor: | ACETATE ION, AprB2, CALCIUM ION, ... | Authors: | Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M. | Deposit date: | 2010-02-05 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates Plos Pathog., 6, 2010
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2XSB
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![BU of 2xsb by Molmil](/molmil-images/mine/2xsb) | OgOGA PUGNAc complex | Descriptor: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHLORIDE ION, HYALURONOGLUCOSAMINIDASE | Authors: | Schuttelkopf, A.W, van Aalten, D.M.F. | Deposit date: | 2010-09-27 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Human Oga Binds Substrates in a Conserved Peptide Recognition Groove. Biochem.J., 432, 2010
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2XYP
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![BU of 2xyp by Molmil](/molmil-images/mine/2xyp) | Caspase-3:CAS26049945 | Descriptor: | CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE | Authors: | Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. | Deposit date: | 2010-11-18 | Release date: | 2011-08-17 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety. Acta Crystallogr.,Sect.F, 67, 2011
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3KOB
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![BU of 3kob by Molmil](/molmil-images/mine/3kob) | |
3KP2
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![BU of 3kp2 by Molmil](/molmil-images/mine/3kp2) | |
3KP7
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![BU of 3kp7 by Molmil](/molmil-images/mine/3kp7) | Staphylococcus epidermidis TcaR (apo form) | Descriptor: | Transcriptional regulator TcaR | Authors: | Chang, Y.M, Chen, C.K, Yeh, Y.J, Ko, T.P, Wang, A.H. | Deposit date: | 2009-11-15 | Release date: | 2010-06-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis. Proc.Natl.Acad.Sci.USA, 107, 2010
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3KO4
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![BU of 3ko4 by Molmil](/molmil-images/mine/3ko4) | |
3KOC
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![BU of 3koc by Molmil](/molmil-images/mine/3koc) | |
3GMY
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![BU of 3gmy by Molmil](/molmil-images/mine/3gmy) | |
2VFW
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![BU of 2vfw by Molmil](/molmil-images/mine/2vfw) | Rv1086 native | Descriptor: | SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE, SULFATE ION | Authors: | Naismith, J.H, Wang, W, Dong, C. | Deposit date: | 2007-11-05 | Release date: | 2007-11-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structural basis of chain length control in Rv1086. J. Mol. Biol., 381, 2008
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3GTC
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![BU of 3gtc by Molmil](/molmil-images/mine/3gtc) | AmpC beta-lactamase in complex with Fragment-based Inhibitor | Descriptor: | (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Teotico, D.T, Shoichet, B.K. | Deposit date: | 2009-03-27 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
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3KNF
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![BU of 3knf by Molmil](/molmil-images/mine/3knf) | |
3KRD
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![BU of 3krd by Molmil](/molmil-images/mine/3krd) | |
3KXH
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![BU of 3kxh by Molmil](/molmil-images/mine/3kxh) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66) | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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3GTA
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![BU of 3gta by Molmil](/molmil-images/mine/3gta) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2009-03-27 | Release date: | 2010-03-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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3KXN
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![BU of 3kxn by Molmil](/molmil-images/mine/3kxn) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88) | Descriptor: | 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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3KP4
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![BU of 3kp4 by Molmil](/molmil-images/mine/3kp4) | |
3FNG
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![BU of 3fng by Molmil](/molmil-images/mine/3fng) | Crystal structure of InhA bound to triclosan derivative | Descriptor: | 5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Wang, F. | Deposit date: | 2008-12-24 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Chemmedchem, 4, 2009
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