6GNC
 
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8BAL
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8BDP
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8BBL
 | | SGL a GH20 family sulfoglycosidase | | Descriptor: | Beta-N-acetylhexosaminidase | | Authors: | Dong, M.D, Roth, C.R, Jin, Y.J. | | Deposit date: | 2022-10-13 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
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6BPY
 | | Aspergillus fumigatus Thioredoxin Reductase | | Descriptor: | ACETATE ION, D-MALATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Marshall, A.C, Bruning, J.B. | | Deposit date: | 2017-11-27 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | Structure, Mechanism, and Inhibition ofAspergillus fumigatusThioredoxin Reductase.
Antimicrob.Agents Chemother., 63, 2019
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5OSW
 | | Structure of caprine serum albumin in complex with 3,5-diiodosalicylic acid | | Descriptor: | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, Albumin, ... | | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
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5EOE
 | | Crystal structure of extended-spectrum beta-lactamase BEL-1 (orthorhombic form) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | | Deposit date: | 2015-11-10 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
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5EOO
 | | Crystal structure of extended-spectrum beta-lactamase BEL-1 (monoclinic form) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | | Deposit date: | 2015-11-10 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
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5ORI
 | | Structure of caprine serum albumin in orthorhombic crystal system | | Descriptor: | Albumin | | Authors: | Bujacz, A, Talaj, J.A, Bujacz, G, Pietrzyk-Brzezinska, A.J. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
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5OTB
 | | Structure of caprine serum albumin in P1 space group | | Descriptor: | Albumin, DI(HYDROXYETHYL)ETHER, PROLINE, ... | | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G. | | Deposit date: | 2017-08-21 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
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5OSK
 | | Tubulin-7j complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ... | | Authors: | Menchon, G, Prota, A.E, Steinmetz, M.O, Potter, B.V.L. | | Deposit date: | 2017-08-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure.
J. Med. Chem., 61, 2018
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5NSP
 | | Crystal structure of TNKS2 in complex with OD334 | | Descriptor: | 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile, BICARBONATE ION, GLYCEROL, ... | | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | | Deposit date: | 2017-04-26 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach.
J. Med. Chem., 60, 2017
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5FX3
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5EPH
 | | Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Imipenem | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Pozzi, C, Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S. | | Deposit date: | 2015-11-11 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
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5FWR
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5FS5
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5ODE
 | | Structure of a novel oxidoreductase from Gloeobacter violaceus | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | | Deposit date: | 2017-07-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5EUA
 | | Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam | | Descriptor: | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION | | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S. | | Deposit date: | 2015-11-18 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
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5ORF
 | | Structure of ovine serum albumin in P1 space group | | Descriptor: | DI(HYDROXYETHYL)ETHER, PROLINE, Serum albumin, ... | | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G, Pietrzyk-Brzezinska, A.J. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
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5G1D
 | | The complex structure of syntenin-1 PDZ domain with c-terminal extension | | Descriptor: | SYNDECAN-4, SYNTENIN-1 | | Authors: | Lee, I, Kim, H, Yun, J.H, Lee, W. | | Deposit date: | 2016-03-25 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling.
Sci.Rep., 6, 2016
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5G1E
 | | The complex structure of syntenin-1 PDZ domain with c-terminal extension | | Descriptor: | SYNTENIN-1 | | Authors: | Lee, I, Kim, H, Yun, J.H, Lee, W. | | Deposit date: | 2016-03-25 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling.
Sci.Rep., 6, 2016
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6AN6
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72 | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2017-08-12 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
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6AN4
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F) | | Descriptor: | ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2017-08-12 | | Release date: | 2018-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
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7K0S
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7KDO
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2020-10-09 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
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