4OJV
 
 | | Crystal structure of unliganded yeast PDE1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ... | | Authors: | Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H. | | Deposit date: | 2014-01-21 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
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4OP5
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Extended spectrum beta-lactamase TEM-63, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-05 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4OLL
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4OQH
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation in complex with boron-based inhibitor EC25 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-09 | | Release date: | 2015-05-20 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4OMH
 | | Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION | | Authors: | Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. | | Deposit date: | 2014-01-27 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
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2Z82
 | | Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide | | Descriptor: | (2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lee, J.O, Jin, M.S, Kim, S.E, Heo, J.Y. | | Deposit date: | 2007-08-30 | | Release date: | 2007-10-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the TLR1-TLR2 Heterodimer Induced by Binding of a Tri-Acylated Lipopeptide
Cell(Cambridge,Mass.), 130, 2007
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4OQZ
 | | Streptomyces aurantiacus imine reductase | | Descriptor: | Putative oxidoreductase YfjR | | Authors: | Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O. | | Deposit date: | 2014-02-10 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces.
CHEMCATCHEM, 2014
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4N85
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4N9E
 | | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | | Deposit date: | 2013-10-20 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
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3PW9
 | | Structural and functional Analysis of Arabidopsis thaliana thylakoid lumen protein AtTLP18.3 | | Descriptor: | CALCIUM ION, GLYCEROL, SERINE, ... | | Authors: | Wu, H.Y, Liu, M.S, Lin, T.P, Cheng, Y.S. | | Deposit date: | 2010-12-08 | | Release date: | 2011-10-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and functional assays of AtTLP18.3 identify its novel acid phosphatase activity in thylakoid lumen
Plant Physiol., 157, 2011
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4NAR
 | | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. Northeast Structural Genomics Consortium Target VR152 | | Descriptor: | ACETATE ION, Putative uronate isomerase, SULFATE ION | | Authors: | Vorobiev, S, Lew, S, Seetharaman, J, Chi, Y, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-22 | | Release date: | 2013-11-06 | | Method: | X-RAY DIFFRACTION (2.388 Å) | | Cite: | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima.
To be Published
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4NBN
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6VR0
 | | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A | | Descriptor: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION | | Authors: | Mascarenhas, R.N, Liu, D, Ballicora, M, Iglesias, A, Asencion, M, Figueroa, C. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A
To Be Published
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4MZW
 | | CRYSTAL STRUCTURE OF NU-CLASS GLUTATHIONE TRANSFERASE YGHU FROM Streptococcus sanguinis SK36, COMPLEX WITH GLUTATHIONE DISULFIDE, TARGET EFI-507286 | | Descriptor: | ACETATE ION, Glutathione S-Transferase, OXIDIZED GLUTATHIONE DISULFIDE | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-30 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Glutathione S-Transferase Yghu (Target Efi-507286)
To be Published
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4N06
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4N5D
 | | Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ... | | Authors: | Murray, J.M, Steffek, M. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
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4N2K
 | | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-05 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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2XU6
 | | MDV1 coiled coil domain | | Descriptor: | MDV1 COILED COIL | | Authors: | Koirala, S, Bui, H.T, Schubert, H.L, Eckert, D.M, Hill, C.P, Kay, M.S, Shaw, J.M. | | Deposit date: | 2010-10-14 | | Release date: | 2010-10-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Architecture of a Dynamin Adaptor: Implications for Assembly of Mitochondrial Fission Complexes
J.Cell Biol., 191, 2010
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4N86
 | | Crystal structure of human transthyretin complexed with glabridin | | Descriptor: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, CALCIUM ION, Transthyretin | | Authors: | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | | Deposit date: | 2013-10-17 | | Release date: | 2014-02-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structures of human transthyretin complexed with glabridin
J.Med.Chem., 57, 2014
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6B6F
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4NEY
 | | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium | | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-30 | | Release date: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.323 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR277
To be published
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6MTX
 | | Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ1 isolated following ZPIV vaccination | | Descriptor: | GLYCEROL, MZ1 Heavy Chain, MZ1 Light Chain | | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | | Deposit date: | 2018-10-22 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat Med, 26, 2020
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4NC0
 | | Crystal Structure of TcdA-A2 Bound to A26.8 VHH | | Descriptor: | A26.8 VHH, Cell wall-binding repeat protein | | Authors: | Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S. | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
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4NC8
 | | N-terminal domain of delta-subunit of RNA polymerase complexed with nickel ions | | Descriptor: | DNA-directed RNA polymerase subunit delta, NICKEL (II) ION | | Authors: | Demo, G, Papouskova, V, Komarek, J, Sanderova, H, Rabatinova, A, Krasny, L, Zidek, L, Sklenar, V, Wimmerova, M. | | Deposit date: | 2013-10-24 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | X-ray vs. NMR structure of N-terminal domain of delta-subunit of RNA polymerase.
J.Struct.Biol., 187, 2014
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2XU8
 | | Structure of Pa1645 | | Descriptor: | PA1645, SULFATE ION | | Authors: | Abdelli, W.B, Moynie, L, McMahon, S.A, Liu, H, Alphey, M.S, Naismith, J.H. | | Deposit date: | 2010-10-15 | | Release date: | 2010-12-29 | | Last modified: | 2015-08-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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