3TN9
 
 | | X-ray structure of the HRV2 empty capsid (B-particle) | | Descriptor: | Protein VP1, Protein VP2, Protein VP3 | | Authors: | Garriga, D, Pickl-Herk, A, Luque, D, Wruss, J, Caston, J.R, Blaas, D, Verdaguer, N. | | Deposit date: | 2011-09-01 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Insights into minor group rhinovirus uncoating: the X-ray structure of the HRV2 empty capsid.
Plos Pathog., 8, 2012
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3UXD
 | | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3R21
 | | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
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1LIT
 | | HUMAN LITHOSTATHINE | | Descriptor: | LITHOSTATHINE | | Authors: | Bertrand, J.A, Pignol, D, Bernard, J.-P, Verdier, J.-M, Dagorn, J.-C, Fontacilla-Camps, J.C. | | Deposit date: | 1996-01-17 | | Release date: | 1997-01-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of human lithostathine, the pancreatic inhibitor of stone formation.
EMBO J., 15, 1996
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1LND
 | | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ... | | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | | Deposit date: | 1994-05-13 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
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1L7B
 | | Solution NMR Structure of BRCT Domain of T. Thermophilus: Northeast Structural Genomics Consortium Target WR64TT | | Descriptor: | DNA LIGASE | | Authors: | Sahota, G, Dixon, B.L, Huang, Y.P, Aramini, J, Monleon, D, Bhattacharya, D, Swapna, G.V.T, Yin, C, Xiao, R, Anderson, S, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-03-14 | | Release date: | 2003-09-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the Brct Domain from Thermus Thermophilus DNA Ligase
To be Published
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6C2V
 | | Solution structure of a phosphate-loop protein | | Descriptor: | phosphate-loop protein | | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | | Deposit date: | 2018-01-09 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Simple yet functional phosphate-loop proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1NNO
 | | CONFORMATIONAL CHANGES OCCURRING UPON NO BINDING IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA | | Descriptor: | HEME C, HEME D, NITRIC OXIDE, ... | | Authors: | Nurizzo, D, Tegoni, M, Cambillau, C. | | Deposit date: | 1998-07-20 | | Release date: | 1999-04-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Conformational changes occurring upon reduction and NO binding in nitrite reductase from Pseudomonas aeruginosa.
Biochemistry, 37, 1998
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1LNB
 | | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, FE (III) ION, ... | | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | | Deposit date: | 1994-05-13 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
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3NF7
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 1,2-ETHANEDIOL, 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-09 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NMQ
 | | Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor | | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-beta | | Authors: | Arndt, J.W, Yun, T.J, Harning, E.K, Giza, K, Rabah, D, Li, P, Luchetti, D, Shi, J, Manning, A, Kehry, M.R. | | Deposit date: | 2010-06-22 | | Release date: | 2010-12-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | EC144, a Synthetic Inhibitor of Heat Shock Protein 90, Blocks Innate and Adaptive Immune Responses in Models of Inflammation and Autoimmunity.
J.Immunol., 186, 2011
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1R4T
 | | Solution structure of exoenzyme S | | Descriptor: | exoenzyme S | | Authors: | Langdon, G.M, Leitner, D, Labudde, D, Kuhne, R, Schmieder, P, Aktories, K, Oschkinat, H.O, Schmidt, G. | | Deposit date: | 2003-10-08 | | Release date: | 2005-04-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal GTPase activating domain of Pseudomonas aeruginosa exoenzyme S
To be Published
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1R7E
 | | NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure. Sample in 100mM SDS). | | Descriptor: | Genome polyprotein | | Authors: | Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D. | | Deposit date: | 2003-10-21 | | Release date: | 2004-08-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
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3UWX
 | | Crystal structure of UvrA-UvrB complex | | Descriptor: | Excinuclease ABC, A subunit, UvrABC system protein B, ... | | Authors: | Pakotiprapha, D, Jeruzalmi, D. | | Deposit date: | 2011-12-03 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.398 Å) | | Cite: | Structure and mechanism of the UvrA-UvrB DNA damage sensor.
Nat.Struct.Mol.Biol., 19, 2012
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3UY8
 | | Designed protein KE59 R5_11/5F | | Descriptor: | Kemp eliminase KE59 R5_11/5F, SULFATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-06 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3H87
 | | Rv0301 Rv0300 Toxin Antitoxin Complex from Mycobacterium tuberculosis | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Min, A, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The crystal structure of the Rv0301-Rv0300 VapBC-3 toxin-antitoxin complex from M. tuberculosis reveals a Mg(2+) ion in the active site and a putative RNA-binding site.
Protein Sci., 21, 2012
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5O7N
 | | Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid | | Descriptor: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase VIM-2, ... | | Authors: | Buettner, D, Kramer, J.S, Pogoryelov, D, Proschak, E. | | Deposit date: | 2017-06-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases.
Acs Infect Dis., 4, 2018
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3HB4
 | | 17beta-hydroxysteroid dehydrogenase type1 complexed with E2B | | Descriptor: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1 | | Authors: | Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X. | | Deposit date: | 2009-05-04 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
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6C2U
 | | Solution structure of a phosphate-loop protein | | Descriptor: | phosphate-loop protein | | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | | Deposit date: | 2018-01-09 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Simple yet functional phosphate-loop proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3TRA
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1Q90
 | | Structure of the cytochrome b6f (plastohydroquinone : plastocyanin oxidoreductase) from Chlamydomonas reinhardtii | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ... | | Authors: | Stroebel, D, Choquet, Y, Popot, J.-L, Picot, D. | | Deposit date: | 2003-08-22 | | Release date: | 2003-12-09 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An Atypical Haem in the Cytochrome B6F Complex
Nature, 426, 2003
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6HIW
 | | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the complete small mitoribosomal subunit in complex with mt-IF-3 | | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ramrath, D, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2018-08-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
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1R7C
 | | NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure, Sample in 50% tfe) | | Descriptor: | Genome polyprotein | | Authors: | Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D. | | Deposit date: | 2003-10-21 | | Release date: | 2004-08-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
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1R7F
 | | NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Ensemble of 43 structures. Sample in 100mM SDS) | | Descriptor: | Genome polyprotein | | Authors: | Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D. | | Deposit date: | 2003-10-21 | | Release date: | 2004-08-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004
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1JJA
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