2NUP
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4IJ0
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![BU of 4ij0 by Molmil](/molmil-images/mine/4ij0) | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing transition mutation | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*CP*GP*CP*G)-3'), STRONTIUM ION | Authors: | Zhang, F, Suzuki, K, Tsunoda, M, Wilkinson, O, Millington, C.L, Williams, D.M, Morishita, E.C, Takenaka, A. | Deposit date: | 2012-12-20 | Release date: | 2013-05-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing pyrimidine transition mutations Nucleic Acids Res., 41, 2013
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4IM4
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4DJO
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![BU of 4djo by Molmil](/molmil-images/mine/4djo) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP56 | Descriptor: | 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, GLYCEROL, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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2NW0
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![BU of 2nw0 by Molmil](/molmil-images/mine/2nw0) | Crystal structure of a lysin | Descriptor: | ACETATE ION, PlyB | Authors: | Porter, C.J, Buckle, A.M, Whisstock, J.C. | Deposit date: | 2006-11-14 | Release date: | 2006-12-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The 1.6 A Crystal Structure of the Catalytic Domain of PlyB, a Bacteriophage Lysin Active Against Bacillus anthracis. J.Mol.Biol., 366, 2007
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4DJQ
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![BU of 4djq by Molmil](/molmil-images/mine/4djq) | Crystal Structure of wild-type HIV-1 Protease in Complex with MKP86 | Descriptor: | 2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, PHOSPHATE ION, Pol polyprotein | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2012-02-02 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J.Med.Chem., 55, 2012
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4DJV
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![BU of 4djv by Molmil](/molmil-images/mine/4djv) | Structure of BACE Bound to 2-imino-5-(3'-methoxy-[1,1'-biphenyl]-3-yl)-3-methyl-5-phenylimidazolidin-4-one | Descriptor: | (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2012-02-02 | Release date: | 2012-03-21 | Last modified: | 2012-04-04 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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3TQP
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![BU of 3tqp by Molmil](/molmil-images/mine/3tqp) | Structure of an enolase (eno) from Coxiella burnetii | Descriptor: | Enolase, MAGNESIUM ION, PHOSPHATE ION | Authors: | Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-28 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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4DK8
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![BU of 4dk8 by Molmil](/molmil-images/mine/4dk8) | Crystal structure of LXR ligand binding domain in complex with partial agonist 5 | Descriptor: | ACETATE ION, CALCIUM ION, N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide, ... | Authors: | Piper, D.E, Kopecky, D.J, Xu, H. | Deposit date: | 2012-02-03 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of a new binding mode for a series of liver X receptor agonists. Bioorg.Med.Chem.Lett., 22, 2012
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4HMC
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![BU of 4hmc by Molmil](/molmil-images/mine/4hmc) | Crystal structure of cold-adapted chitinase from Moritella marina | Descriptor: | Chitinase 60, GLYCEROL, SODIUM ION | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | Deposit date: | 2012-10-18 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium Acta Crystallogr.,Sect.D, 69, 2013
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3TRW
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4DLS
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![BU of 4dls by Molmil](/molmil-images/mine/4dls) | H-Ras Set 1 CaCl2 'Mixed' | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Holzapfel, G, Mattos, C. | Deposit date: | 2012-02-06 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
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3E17
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![BU of 3e17 by Molmil](/molmil-images/mine/3e17) | Crystal structure of the second PDZ domain from human Zona Occludens-2 | Descriptor: | Tight junction protein ZO-2 | Authors: | Chen, H, Tong, S.L, Teng, M.K, Niu, L.W. | Deposit date: | 2008-08-01 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the second PDZ domain from human zonula occludens 2 Acta Crystallogr.,Sect.F, 65, 2009
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3SPX
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![BU of 3spx by Molmil](/molmil-images/mine/3spx) | Crystal structure of O-Acetyl Serine Sulfhydrylase from Leishmania donovani | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, O-acetyl serine sulfhydrylase, ... | Authors: | Raj, I, Gourinath, S. | Deposit date: | 2011-07-04 | Release date: | 2012-07-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The narrow active-site cleft of O-acetylserine sulfhydrylase from Leishmania donovani allows complex formation with serine acetyltransferases with a range of C-terminal sequences Acta Crystallogr.,Sect.D, 68, 2012
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3SOI
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![BU of 3soi by Molmil](/molmil-images/mine/3soi) | Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution | Descriptor: | Beta-lactamase, CITRIC ACID | Authors: | Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R. | Deposit date: | 2011-06-30 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase. Protein Sci., 21, 2012
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4DWB
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![BU of 4dwb by Molmil](/molmil-images/mine/4dwb) | Crystal structure of Trypanosoma cruzi farnesyl diphosphate synthase in complex with [2-(n-pentylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, Farnesyl pyrophosphate synthase, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-24 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
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3GSG
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![BU of 3gsg by Molmil](/molmil-images/mine/3gsg) | AmpC beta-lactamase in complex with Fragment-based Inhibitor | Descriptor: | (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Teotico, D.T, Shoichet, B.K. | Deposit date: | 2009-03-26 | Release date: | 2009-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
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3SQD
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3GRJ
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4IAL
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![BU of 4ial by Molmil](/molmil-images/mine/4ial) | Crystal structure of Staphylococcal nuclease variant Delta+PHS H121E at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Bell-Upp, P.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-12-06 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS H121E at cryogenic temperature To be Published
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2O0O
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![BU of 2o0o by Molmil](/molmil-images/mine/2o0o) | Crystal structure of TL1A | Descriptor: | MAGNESIUM ION, TNF superfamily ligand TL1A | Authors: | Jin, T.C, Kim, S, Guo, F, Howard, A.J, Zhang, Y.Z. | Deposit date: | 2006-11-27 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray crystal structure of TNF ligand family member TL1A at 2.1A. Biochem.Biophys.Res.Commun., 364, 2007
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3SQF
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![BU of 3sqf by Molmil](/molmil-images/mine/3sqf) | Crystal structure of monomeric M-PMV retroviral protease | Descriptor: | Protease | Authors: | Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders | Deposit date: | 2011-07-05 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6324 Å) | Cite: | Crystal structure of a monomeric retroviral protease solved by protein folding game players. Nat.Struct.Mol.Biol., 18, 2011
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3SSO
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3GSX
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![BU of 3gsx by Molmil](/molmil-images/mine/3gsx) | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8V peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8V (NLVPMVAVV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
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2HYT
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