3NYV
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2WWD
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![BU of 2wwd by Molmil](/molmil-images/mine/2wwd) | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with pneummococcal peptidoglycan fragment | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, ... | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | Deposit date: | 2009-10-22 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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2X06
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![BU of 2x06 by Molmil](/molmil-images/mine/2x06) | SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHII | Descriptor: | L-SULFOLACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D. | Deposit date: | 2009-12-07 | Release date: | 2009-12-15 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Methanoarchaeal Sulfolactate Dehydrogenase: Prototype of a New Family of Nadh-Dependent Enzymes. Embo J., 23, 2004
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2WWC
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![BU of 2wwc by Molmil](/molmil-images/mine/2wwc) | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with synthetic peptidoglycan ligand | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, CHOLINE ION, GLYCEROL | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | Deposit date: | 2009-10-22 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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3S53
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![BU of 3s53 by Molmil](/molmil-images/mine/3s53) | HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, IODIDE ION, PHOSPHATE ION, ... | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | Deposit date: | 2011-05-20 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3S6H
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![BU of 3s6h by Molmil](/molmil-images/mine/3s6h) | Crystal structure of native mmNAGS/k | Descriptor: | COENZYME A, GLUTAMIC ACID, N-acetylglutamate kinase / N-acetylglutamate synthase | Authors: | Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M. | Deposit date: | 2011-05-25 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris. Plos One, 6, 2011
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3S8B
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![BU of 3s8b by Molmil](/molmil-images/mine/3s8b) | Structure of Yeast Ribonucleotide Reductase 1 with AMPPNP and CDP | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D. | Deposit date: | 2011-05-27 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase To be Published
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2WJO
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2WW5
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![BU of 2ww5 by Molmil](/molmil-images/mine/2ww5) | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae at 1.6 A resolution | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, CHLORIDE ION, CHOLINE ION, ... | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L, Menendez, M. | Deposit date: | 2009-10-21 | Release date: | 2010-04-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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3SLS
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![BU of 3sls by Molmil](/molmil-images/mine/3sls) | Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP | Descriptor: | 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Meier, C, Ceska, T.A. | Deposit date: | 2011-06-25 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Engineering human MEK-1 for structural studies: A case study of combinatorial domain hunting. J.Struct.Biol., 177, 2012
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3S54
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![BU of 3s54 by Molmil](/molmil-images/mine/3s54) | HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P21212 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | Deposit date: | 2011-05-20 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3TOF
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![BU of 3tof by Molmil](/molmil-images/mine/3tof) | HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121) | Descriptor: | (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Geremia, S, Olajuyigbe, F.M, Ajele, J.O, Demitri, N, Randaccio, L, Wuerges, J, Benedetti, L, Campaner, P, Berti, F. | Deposit date: | 2011-09-05 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals. Molecules, 21, 2016
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4IHF
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![BU of 4ihf by Molmil](/molmil-images/mine/4ihf) | Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production | Descriptor: | Acyl carrier protein, CHLORIDE ION, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate, ... | Authors: | Masoudi, A, Raetz, C.R.H, Pemble, C.W. | Deposit date: | 2012-12-18 | Release date: | 2013-11-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chasing acyl carrier protein through a catalytic cycle of lipid A production. Nature, 505, 2014
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3QUR
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![BU of 3qur by Molmil](/molmil-images/mine/3qur) | Crystal structure of fosfomycin resistance kinase FomA from Streptomyces wedmorensis complexed with MgADP and fosfomycin monophosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FomA protein, MAGNESIUM ION, ... | Authors: | Pakhomova, S, Bartlett, S.G, Doerner, P.A, Newcomer, M.E. | Deposit date: | 2011-02-24 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural and biochemical insights into the mechanism of fosfomycin phosphorylation by fosfomycin resistance kinase FomA. Biochemistry, 50, 2011
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3QUN
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![BU of 3qun by Molmil](/molmil-images/mine/3qun) | Crystal structure of fosfomycin resistance kinase FomA from Streptomyces wedmorensis complexed with MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FomA protein, GLYCEROL, ... | Authors: | Pakhomova, S, Bartlett, S.G, Doerner, P.A, Newcomer, M.E. | Deposit date: | 2011-02-24 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and biochemical insights into the mechanism of fosfomycin phosphorylation by fosfomycin resistance kinase FomA. Biochemistry, 50, 2011
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3LL8
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3P0Z
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3U0T
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![BU of 3u0t by Molmil](/molmil-images/mine/3u0t) | Fab-antibody complex | Descriptor: | Amyloid beta A4 protein, ponezumab HC Fab, ponezumab LC Fab | Authors: | LaPorte, S.L, Pons, J.P. | Deposit date: | 2011-09-29 | Release date: | 2012-01-11 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of C-terminal beta-Amyloid Peptide Binding by the Antibody Ponezumab for the Treatment of Alzheimer's Disease J.Mol.Biol., 421, 2012
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3PD6
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![BU of 3pd6 by Molmil](/molmil-images/mine/3pd6) | Crystal structure of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | Authors: | Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J. | Deposit date: | 2010-10-22 | Release date: | 2010-11-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV. Biosci.Rep., 31, 2011
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3PDB
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![BU of 3pdb by Molmil](/molmil-images/mine/3pdb) | Crystal structure of mouse mitochondrial aspartate aminotransferase in complex with oxaloacetic acid | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, mitochondrial, ... | Authors: | Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J. | Deposit date: | 2010-10-22 | Release date: | 2010-11-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV. Biosci.Rep., 31, 2011
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3RC8
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![BU of 3rc8 by Molmil](/molmil-images/mine/3rc8) | Human Mitochondrial Helicase Suv3 in Complex with Short RNA Fragment | Descriptor: | ATP-dependent RNA helicase SUPV3L1, mitochondrial, RNA fragment | Authors: | Dauter, Z, Jedrzejczak, R, Dauter, M, Wang, J, Szczesny, R, Stepien, P. | Deposit date: | 2011-03-30 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Human Suv3 protein reveals unique features among SF2 helicases. Acta Crystallogr.,Sect.D, 67, 2011
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3TFS
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![BU of 3tfs by Molmil](/molmil-images/mine/3tfs) | Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CFH)PP in the active site: Stereoselective binding of (S) isomer | Descriptor: | 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. | Deposit date: | 2011-08-16 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta. Chembiochem, 13, 2012
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5SAK
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![BU of 5sak by Molmil](/molmil-images/mine/5sak) | Endothiapepsin in complex with compound FU5-1 | Descriptor: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | Deposit date: | 2021-05-28 | Release date: | 2021-09-01 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAQ
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![BU of 5saq by Molmil](/molmil-images/mine/5saq) | Endothiapepsin in complex with compound FU58-3 | Descriptor: | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol, Endothiapepsin, GLYCEROL | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | Deposit date: | 2021-05-28 | Release date: | 2021-09-01 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5SAR
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![BU of 5sar by Molmil](/molmil-images/mine/5sar) | Endothiapepsin in complex with compound FU290-1 | Descriptor: | (1,4-phenylene)bis(methylene) dicarbamimidothioate, Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | Deposit date: | 2021-05-28 | Release date: | 2021-09-01 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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