3E9I
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![BU of 3e9i by Molmil](/molmil-images/mine/3e9i) | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with L-Lysine hydroxamate-AMP | Descriptor: | 5'-O-{(R)-hydroxy[(L-lysylamino)oxy]phosphoryl}adenosine, Lysyl-tRNA synthetase, MAGNESIUM ION, ... | Authors: | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | Deposit date: | 2008-08-22 | Release date: | 2009-07-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Two crystal structures of lysyl-tRNA synthetase from Bacillus stearothermophilus in complex with lysyladenylate-like compounds: insights into the irreversible formation of the enzyme-bound adenylate of L-lysine hydroxamate J.Biochem., 145, 2009
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3RDR
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![BU of 3rdr by Molmil](/molmil-images/mine/3rdr) | Structure of the catalytic domain of XlyA | Descriptor: | CHLORIDE ION, N-acetylmuramoyl-L-alanine amidase XlyA, ZINC ION | Authors: | Low, L.Y, Liddington, R.C. | Deposit date: | 2011-04-01 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of net charge on catalytic domain and influence of cell wall binding domain on bactericidal activity, specificity, and host range of phage lysins. J.Biol.Chem., 286, 2011
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3DMJ
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![BU of 3dmj by Molmil](/molmil-images/mine/3dmj) | CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511. | Descriptor: | N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ren, J, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2008-07-01 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors. J.Med.Chem., 51, 2008
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3DPL
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![BU of 3dpl by Molmil](/molmil-images/mine/3dpl) | |
2XVU
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![BU of 2xvu by Molmil](/molmil-images/mine/2xvu) | |
3DTO
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![BU of 3dto by Molmil](/molmil-images/mine/3dto) | Crystal structure of the metal-dependent HD domain-containing hydrolase BH2835 from Bacillus halodurans, Northeast Structural Genomics Consortium Target BhR130. | Descriptor: | BH2835 protein | Authors: | Forouhar, F, Su, M, Seetharaman, J, Janjua, H, Fang, Y, Xiao, R, Cunningham, K, Ma, L.-C, Owen, L.A, Wang, D, Tong, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-07-15 | Release date: | 2008-09-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the metal-dependent HD domain-containing hydrolase BH2835 from Bacillus halodurans, Northeast Structural Genomics Consortium Target BhR130. To be Published
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3RDH
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![BU of 3rdh by Molmil](/molmil-images/mine/3rdh) | X-ray induced covalent inhibition of 14-3-3 | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | Deposit date: | 2011-04-01 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor. Proc.Natl.Acad.Sci.USA, 108, 2011
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2XPJ
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![BU of 2xpj by Molmil](/molmil-images/mine/2xpj) | |
3DYU
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![BU of 3dyu by Molmil](/molmil-images/mine/3dyu) | |
3RP2
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![BU of 3rp2 by Molmil](/molmil-images/mine/3rp2) | THE STRUCTURE OF RAT MAST CELL PROTEASE II AT 1.9-ANGSTROMS RESOLUTION | Descriptor: | RAT MAST CELL PROTEASE II | Authors: | Reynolds, R, Remington, S, Weaver, L, Fischer, R, Anderson, W, Ammon, H, Matthews, B. | Deposit date: | 1984-09-10 | Release date: | 1984-10-29 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of rat mast cell protease II at 1.9-A resolution. Biochemistry, 27, 1988
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3DMY
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![BU of 3dmy by Molmil](/molmil-images/mine/3dmy) | |
2XWU
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![BU of 2xwu by Molmil](/molmil-images/mine/2xwu) | CRYSTAL STRUCTURE OF IMPORTIN 13 - UBC9 COMPLEX | Descriptor: | IMPORTIN13, SUMO-CONJUGATING ENZYME UBC9 | Authors: | Gruenwald, M, Bono, F. | Deposit date: | 2010-11-05 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Importin13-Ubc9 Complex: Nuclear Import and Release of a Key Regulator of Sumoylation. Embo J., 30, 2011
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3DNM
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3DM2
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![BU of 3dm2 by Molmil](/molmil-images/mine/3dm2) | Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511. | Descriptor: | N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ren, J, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2008-06-30 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors. J.Med.Chem., 51, 2008
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4K1J
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![BU of 4k1j by Molmil](/molmil-images/mine/4k1j) | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2013-04-05 | Release date: | 2013-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding Sci Rep, 3, 2013
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3DVV
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![BU of 3dvv by Molmil](/molmil-images/mine/3dvv) | |
3RG9
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![BU of 3rg9 by Molmil](/molmil-images/mine/3rg9) | Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210 | Descriptor: | 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vanichtanankul, J, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2011-04-08 | Release date: | 2011-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Trypanosomal dihydrofolate reductase reveals natural antifolate resistance Acs Chem.Biol., 6, 2011
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3REV
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![BU of 3rev by Molmil](/molmil-images/mine/3rev) | Crystal structure of human alloreactive tcr nb20 | Descriptor: | 1,2-ETHANEDIOL, TCR NB20 ALPHA CHAIN, TCR NB20 BETA CHAIN | Authors: | Wood, A, Mohammed, F, Salim, M, Tranter, A, Rickinson, A.B, Moss, P.A.H, Stauss, H.J, Steven, N.M, Willcox, B.E. | Deposit date: | 2011-04-05 | Release date: | 2012-01-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and energetic evidence for highly peptide-specific tumor antigen targeting via allo-MHC restriction. Proc.Natl.Acad.Sci.USA, 108, 2011
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2W35
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![BU of 2w35 by Molmil](/molmil-images/mine/2w35) | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | Descriptor: | 5'-D(*AP*GP*CP*CP*GP*TP)-3', 5'-D(*AP*TP*GP*CP*GP*AP*CP*IP*GP)-3', Endonuclease V, ... | Authors: | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | Deposit date: | 2008-11-06 | Release date: | 2009-01-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair. Nat.Struct.Mol.Biol., 16, 2009
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2W26
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![BU of 2w26 by Molmil](/molmil-images/mine/2w26) | Factor Xa in complex with BAY59-7939 | Descriptor: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION | Authors: | Roehrig, S, Straub, A, Pohlmann, J, Lampe, T, Pernerstorfer, J, Schlemmer, K, Reinemer, P, Perzborn, E, Schaefer, M. | Deposit date: | 2008-10-24 | Release date: | 2008-11-11 | Last modified: | 2021-04-28 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of the Novel Antithrombotic Agent 5-Chloro-N-({(5S)-2-Oxo-3- [4-(3-Oxomorpholin-4-Yl)Phenyl]-1,3-Oxazolidin-5-Yl}Methyl)Thiophene-2- Carboxamide (Bay 59-7939): An Oral, Direct Factor Xa Inhibitor. J.Med.Chem., 48, 2005
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2W2D
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![BU of 2w2d by Molmil](/molmil-images/mine/2w2d) | Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A | Descriptor: | ACETATE ION, BOTULINUM NEUROTOXIN A HEAVY CHAIN, BOTULINUM NEUROTOXIN A LIGHT CHAIN, ... | Authors: | Masuyer, G, Thiyagarajan, N, James, P.L, Marks, P.M.H, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2008-10-29 | Release date: | 2009-03-24 | Last modified: | 2022-05-04 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal Structure of a Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A. Biochem.Biophys.Res.Commun., 381, 2009
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3DYF
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![BU of 3dyf by Molmil](/molmil-images/mine/3dyf) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
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2VYU
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![BU of 2vyu by Molmil](/molmil-images/mine/2vyu) | CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE IN THE PRESENCE OF A PEPTIDOGLYCAN ANALOGUE (TETRASACCHARIDE-PENTAPEPTIDE) | Descriptor: | CHOLINE BINDING PROTEIN F, CHOLINE ION | Authors: | Perez-Dorado, I, Molina, R, Hermoso, J.A, Mobashery, S. | Deposit date: | 2008-07-28 | Release date: | 2009-02-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Cbpf, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus Pneumoniae. Embo Rep., 10, 2009
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2VP3
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![BU of 2vp3 by Molmil](/molmil-images/mine/2vp3) | |
2VS2
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![BU of 2vs2 by Molmil](/molmil-images/mine/2vs2) | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-17 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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