3W86
 
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-96 | | Descriptor: | 1,2-ETHANEDIOL, 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... | | Authors: | Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-12 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-96
To be Published
|
|
2CG4
 | | Structure of E.coli AsnC | | Descriptor: | ASPARAGINE, MAGNESIUM ION, REGULATORY PROTEIN ASNC | | Authors: | Thaw, P, Sedelnikova, S.E, Muranova, T, Wiese, S, Ayora, S, Alonso, J.C, Brinkman, A.B, Akerboom, J, van der Oost, J, Rafferty, J.B. | | Deposit date: | 2006-02-27 | | Release date: | 2006-04-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insight Into Gene Transcriptional Regulation and Effector Binding by the Lrp/Asnc Family.
Nucleic Acids Res., 34, 2006
|
|
4HR6
 | | Crystal structure of snake gourd (Trichosanthes anguina) seed lectin, a three chain homologue of type II RIPs | | Descriptor: | LECTIN, methyl alpha-D-galactopyranoside | | Authors: | Sharma, A, Pohlentz, G, Bobbili, K.B, Jeyaprakash, A.A, Chandran, T, Mormann, M, Swamy, M.J, Vijayan, M. | | Deposit date: | 2012-10-26 | | Release date: | 2013-08-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The sequence and structure of snake gourd (Trichosanthes anguina) seed lectin, a three-chain nontoxic homologue of type II RIPs.
Acta Crystallogr.,Sect.D, 69, 2013
|
|
1GXW
 | | the 2.2 A resolution structure of thermolysin crystallized in presence of potassium thiocyanate | | Descriptor: | CALCIUM ION, LYSINE, THERMOLYSIN, ... | | Authors: | Gaucher, J.F, Selkti, M, Prange, T, Tomas, A. | | Deposit date: | 2002-04-12 | | Release date: | 2002-12-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The 2.2 A Resolution Structure of Thermolysin (Tln) Crystallized in the Presence of Potassium Thiocyanate.
Acta Crystallogr.,Sect.D, 58, 2002
|
|
1GZ1
 | | Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with methyl-cellobiosyl-4-deoxy-4-thio-beta-D-cellobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE II, SODIUM ION, ... | | Authors: | Varrot, A, Frandsen, T, Driguez, H, Davies, G.J. | | Deposit date: | 2002-05-13 | | Release date: | 2003-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the Humicola Insolens Cellobiohydrolase Cel6A D416A Mutant in Complex with a Non-Hydrolysable Substrate Analogue, Methyl Cellobiosyl-4-Thio-Beta-Cellobioside, at 1.9 A
Acta Crystallogr.,Sect.D, 58, 2002
|
|
4AJW
 | | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | | Descriptor: | 2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Certal, V, Halley, F, Virone-Oddos, A, Delorme, C, Karlsson, A, Rak, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Carry, J.C, Abecassis, P.Y, Lejeune, P, Bonnevaux, H, Nicolas, J.P, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Below, P, Vade, I, Chatreaux, F, Lebourg, G, Pilorge, F, Angouillant-Boniface, O, Louboutin, A, Lengauer, C, Schio, L. | | Deposit date: | 2012-02-20 | | Release date: | 2012-05-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 55, 2012
|
|
4BFR
 | | Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM | | Authors: | Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L. | | Deposit date: | 2013-03-22 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 57, 2014
|
|
3VUZ
 | | Crystal structure of histone methyltransferase SET7/9 in complex with AAM-1 | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7 | | Authors: | Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S. | | Deposit date: | 2012-07-10 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
|
|
3V4A
 | | Structure of ar lbd with activator peptide and sarm inhibitor 2 | | Descriptor: | (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION | | Authors: | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | | Deposit date: | 2011-12-14 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
|
|
3V49
 | | Structure of ar lbd with activator peptide and sarm inhibitor 1 | | Descriptor: | 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ... | | Authors: | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | | Deposit date: | 2011-12-14 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
|
|
3VV0
 | | Crystal structure of histone methyltransferase SET7/9 in complex with DAAM-3 | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7 | | Authors: | Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S. | | Deposit date: | 2012-07-10 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
|
|
3WX7
 | | Crystal structure of COD | | Descriptor: | ACETATE ION, CALCIUM ION, Chitin oligosaccharide deacetylase, ... | | Authors: | Park, S.-Y, Sugiyama, K, Hirano, T, Nishio, T. | | Deposit date: | 2014-07-18 | | Release date: | 2014-12-03 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Structure-based analysis of domain function of chitin oligosaccharide deacetylase from Vibrio parahaemolyticus.
FEBS Lett., 589, 2015
|
|
2IBA
 | | Urate oxidase from Aspergillus flavus complexed with its inhibitor 8-azaxanthine | | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | | Authors: | Colloc'h, N, Retailleau, P, Sopkova-de Oliveira Santos, J, Prange, T. | | Deposit date: | 2006-09-11 | | Release date: | 2007-02-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protein Crystallography under Xenon and Nitrous Oxide Pressure: Comparison with In Vivo Pharmacology Studies and Implications for the Mechanism of Inhaled Anesthetic Action
Biophys.J., 92, 2007
|
|
6F8N
 | | Key residues affecting transglycosylation activity in family 18 chitinases - Insights into donor and acceptor subsites | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Madhuprakash, J, Dalhus, B, Swaroopa Rani, T, Podile, A.R, Eijsink, V.G.H, Sorlie, M. | | Deposit date: | 2017-12-13 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases: Insights into Donor and Acceptor Subsites.
Biochemistry, 57, 2018
|
|
4B4P
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF. | | Descriptor: | BROMIDE ION, F18 FIMBRIAL ADHESIN AC, SULFATE ION | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
|
|
4B4R
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group B type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
|
|
4B4Q
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group A type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
|
|
3W6K
 | |
3W3A
 | | Crystal structure of V1-ATPase at 3.9 angstrom resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Nagamatsu, Y, Takeda, K, Kuranaga, T, Numoto, N, Miki, K. | | Deposit date: | 2012-12-14 | | Release date: | 2013-05-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Origin of Asymmetry at the Intersubunit Interfaces of V1-ATPase from Thermusthermophilus
J.Mol.Biol., 425, 2013
|
|
3W6J
 | | Crystal structure of ScpAB core complex | | Descriptor: | ScpA, ScpB | | Authors: | Kamada, K, Hirano, T. | | Deposit date: | 2013-02-15 | | Release date: | 2013-04-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular basis of SMC ATPase activation: role of internal structural changes of the regulatory subcomplex ScpAB
Structure, 21, 2013
|
|
2IC0
 | | Urate oxidase under 2.0 MPa pressure of xenon | | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase, ... | | Authors: | Colloc'h, N, Retailleau, P, Sopkova-de Oliveira Santos, J, Abraini, J.H, Prange, T. | | Deposit date: | 2006-09-12 | | Release date: | 2007-02-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Protein Crystallography under Xenon and Nitrous Oxide Pressure: Comparison with In Vivo Pharmacology Studies and Implications for the Mechanism of Inhaled Anesthetic Action
Biophys.J., 92, 2007
|
|
8A97
 | | ROOM TEMPERATURE CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) UNDER XENON PRESSURE (30 bar) | | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, D(-)-TARTARIC ACID, XENON | | Authors: | Bui, S, Prange, T, Steiner, R.A. | | Deposit date: | 2022-06-27 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.897 Å) | | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
|
|
