3RJV
 
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3RH3
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3HT6
 | | 2-methylphenol in complex with T4 lysozyme L99A/M102Q | | Descriptor: | Lysozyme, PHOSPHATE ION, o-cresol | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-11 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3RHI
 | | DNA-binding protein HU from Bacillus anthracis | | Descriptor: | DNA-binding protein HU | | Authors: | Osipiuk, J, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-04-11 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | DNA-binding protein HU from Bacillus anthracis.
To be Published
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3HTD
 | | (Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q | | Descriptor: | (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, BETA-MERCAPTOETHANOL, Lysozyme, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-11 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HXV
 | | Crystal Structure of catalytic fragment of E. coli AlaRS in complex with GlySA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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3HTQ
 | | the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | | Deposit date: | 2009-06-12 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.955 Å) | | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
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3RIG
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3RIU
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3RLD
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3HZM
 | | Crystal structure of S73-2 antibody in complex with antigen Kdo | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ... | | Authors: | Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V. | | Deposit date: | 2009-06-23 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
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3HVM
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3RLK
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3HZU
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3I06
 | | Crystal structure of cruzain covalently bound to a purine nitrile | | Descriptor: | 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile, Cruzipain | | Authors: | Ferreira, R.S, Shoichet, B.K, McKerrow, J.H. | | Deposit date: | 2009-06-24 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
J.Med.Chem., 53, 2010
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3HWK
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3I0F
 | | Crystal structure of GTB C80S/C196S + UDP + H antigen | | Descriptor: | ABO glycosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
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3I15
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3HXZ
 | | Crystal Structure of catalytic fragment of E. coli AlaRS G237A in complex with AlaSA | | Descriptor: | '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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3RNK
 | | Crystal structure of the complex between mouse PD-1 mutant and PD-L2 IgV domain | | Descriptor: | Programmed cell death 1 ligand 2, Programmed cell death protein 1 | | Authors: | Lazar-Molnar, E, Ramagopal, U.A, Cao, E, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2011-04-22 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of the complex between mouse PD-1 mutant and PD-L2 IgV domain
To be Published
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3I2D
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3I08
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3I0J
 | | Crystal structure of GTB C80S/C196S/C209S + H antigen | | Descriptor: | ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding.
J.Mol.Biol., 402, 2010
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3I0T
 | | Sulfur-SAD at long wavelength: Structure of BH3703 from Bacillus halodurans | | Descriptor: | BH3703 protein, SULFATE ION | | Authors: | Ramagopal, U.A, Toro, R, Wasserman, S, Burley, S.K, Almo, S.C. | | Deposit date: | 2009-06-25 | | Release date: | 2009-07-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Sulfur-SAD at long wavelength: Structure of BH3703 from Bacillus halodurans
To be published
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3ROA
 | | Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004) | | Descriptor: | 6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Paulsen, J.L, Anderson, A.C. | | Deposit date: | 2011-04-25 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
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