5JQE
 
 | | Crystal structure of caspase8 tDED | | Descriptor: | Sugar ABC transporter substrate-binding protein,Caspase-8 chimera | | Authors: | Fu, T, Li, Y, Lu, A, Wu, H. | | Deposit date: | 2016-05-04 | | Release date: | 2016-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.157 Å) | | Cite: | Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex.
Mol. Cell, 64, 2016
|
|
3RPV
 | | CDK2 in complex with inhibitor RC-2-88 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-27 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
|
|
7NZU
 | | Crystal structure of chimeric carbonic anhydrase VA with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
|
|
4QY9
 | | X-ray structure of the adduct between hen egg white lysozyme and Auoxo3, a cytotoxic gold(III) compound | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | | Authors: | Russo Krauss, I, Merlino, A. | | Deposit date: | 2014-07-24 | | Release date: | 2014-11-05 | | Last modified: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Interactions of gold-based drugs with proteins: the structure and stability of the adduct formed in the reaction between lysozyme and the cytotoxic gold(iii) compound Auoxo3.
Dalton Trans, 43, 2014
|
|
5JT7
 | |
7NZS
 | | Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
|
|
7O0B
 | |
4QPF
 | | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | | Authors: | Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G. | | Deposit date: | 2014-06-23 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
|
|
4QYM
 | | The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with methionine | | Descriptor: | Amino acid/amide ABC transporter substrate-binding protein, HAAT family, MAGNESIUM ION, ... | | Authors: | Tan, K, Li, H, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-07-24 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis ATCC 29413 in complex with methionine
To be Published
|
|
7NZX
 | | Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
|
|
5JS6
 | | Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD. | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | | Deposit date: | 2016-05-07 | | Release date: | 2016-07-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
|
|
4QYY
 | | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | | Deposit date: | 2014-07-26 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
|
|
7O2S
 | | Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ... | | Authors: | Ferraroni, M, Angeli, A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
|
|
5JOB
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-05-02 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
To be Published
|
|
2HPQ
 | |
7NZW
 | | Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | | Descriptor: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
|
|
4QS6
 | | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID, NO METAL, THE D314N MUTANT | | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-07-03 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of Ligw2 Decarboxylase from Novosphingobium Aromaticivorans
To be Published
|
|
5JOQ
 | | Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e | | Descriptor: | CHLORIDE ION, CITRIC ACID, Lmo2184 protein | | Authors: | Brunzelle, J.S, Wawrzak, Z, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-02 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e
To Be Published
|
|
7O3M
 | | Crystal Structure of AcrB Single Mutant - 1 | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter | | Authors: | Ababou, A. | | Deposit date: | 2021-04-02 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.551 Å) | | Cite: | Crystal Structure of AcrB Single Mutant - 1
To Be Published
|
|
7O3L
 | | Crystal Structure of AcrB Double Mutant | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter | | Authors: | Ababou, A. | | Deposit date: | 2021-04-02 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.526 Å) | | Cite: | Crystal Structure of AcrB Double Mutant
To Be Published
|
|
5JQC
 | | Crystal structure putative autolysin from Listeria monocytogenes | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Lmo1076 protein, ... | | Authors: | Chang, C, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-04 | | Release date: | 2016-05-18 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Crystal structure putative autolysin from Listeria monocytogenes
To Be Published
|
|
7NZR
 | | Crystal structure of chimeric carbonic anhydrase VA with 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide | | Descriptor: | 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.284 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
|
|
8AQT
 | | Beta SARS-CoV-2 Spike bound to mouse ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-01 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
|
|
4QRN
 | | HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID | | Descriptor: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-Carboxyvanillate Decarboxylase, ACETATE ION, ... | | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-07-01 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Crystal Structure of 5-Carboxyvanillate Decarboxylase from Novosphingobium Aromaticivorans
To be Published
|
|
7O6B
 | | Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly | | Descriptor: | Transcription elongation factor SPT6 | | Authors: | Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R. | | Deposit date: | 2021-04-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly.
Nucleic Acids Res., 50, 2022
|
|
