2WAF
 
 | | PENICILLIN-BINDING PROTEIN 2B (PBP-2B) FROM STREPTOCOCCUS PNEUMONIAE (STRAIN R6) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 2B | | Authors: | Contreras-Martel, C, Dahout-Gonzalez, C, Dos-Santos-Martins, A, Kotnik, M, Dessen, A. | | Deposit date: | 2009-02-05 | | Release date: | 2009-02-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Pbp Active Site Flexibility as the Key Mechanism for Beta-Lactam Resistance in Pneumococci
J.Mol.Biol., 387, 2009
|
|
6F76
 | | Antibody derived (Abd-8) small molecule binding to KRAS. | | Descriptor: | 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H. | | Deposit date: | 2017-12-07 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions.
Elife, 7, 2018
|
|
2WBL
 | | Three-dimensional structure of a binary ROP-PRONE complex | | Descriptor: | RAC-LIKE GTP-BINDING PROTEIN ARAC2, RHO OF PLANTS GUANINE NUCLEOTIDE EXCHANGE FACTOR 8 | | Authors: | Thomas, C, Fricke, I, Weyand, M, Berken, A. | | Deposit date: | 2009-03-02 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 3D Structure of a Binary Rop-Prone Complex: The Final Intermediate for a Complete Set of Molecular Snapshots of the Ropgef Reaction.
Biol.Chem., 390, 2009
|
|
7ZW8
 | |
1KX9
 | | ANTENNAL CHEMOSENSORY PROTEIN A6 FROM THE MOTH MAMESTRA BRASSICAE | | Descriptor: | ACETATE ION, CHEMOSENSORY PROTEIN A6 | | Authors: | Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-01-31 | | Release date: | 2002-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | X-ray structure and ligand binding study of a moth chemosensory protein
J.Biol.Chem., 277, 2002
|
|
5MHH
 | |
2NTX
 | | Prone8 | | Descriptor: | Emb|CAB41934.1 | | Authors: | Thomas, C, Fricke, I, Scrima, A, Berken, A, Wittinghofer, A. | | Deposit date: | 2006-11-08 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Evidence for a Common Intermediate in Small G Protein-GEF Reactions
Mol.Cell, 25, 2007
|
|
7POA
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
|
|
7POB
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
|
|
7POC
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
|
|
5MBH
 | | Structure of a bacterial light-regulated adenylyl cyclase | | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | | Deposit date: | 2016-11-08 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
|
|
7ZJ4
 | | Ligand bound state of a brocolli-pepper aptamer FRET tile | | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ... | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
|
|
5MQJ
 | | Crystal structure of dCK mutant C3S | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | | Authors: | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | | Deposit date: | 2016-12-20 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
|
|
5MRA
 | | human SCBD (sorcin calcium binding domain) in complex with doxorubicin | | Descriptor: | DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ... | | Authors: | Ilari, A, Fiorillo, A, Colotti, G, Genovese, I. | | Deposit date: | 2016-12-22 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Binding of doxorubicin to Sorcin impairs cell death and increases drug resistance in cancer cells.
Cell Death Dis, 8, 2017
|
|
5LXF
 | | Crystal structure of the human Macrophage Colony Stimulating Factor M- CSF_C31S variant | | Descriptor: | Macrophage colony-stimulating factor 1 | | Authors: | Shahar, A, Papo, N, Zarivach, R, Kosloff, M, Bakhman, A, Rosenfeld, L, Zur, Y, Levaot, N. | | Deposit date: | 2016-09-21 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering a monomeric variant of macrophage colony-stimulating factor (M-CSF) that antagonizes the c-FMS receptor.
Biochem. J., 474, 2017
|
|
1YOY
 | |
3RF6
 | | Crystal structure of glycerol-3 phosphate bound HAD-like phosphatase from Saccharomyces cerevisiae | | Descriptor: | CITRATE ANION, MAGNESIUM ION, SN-GLYCEROL-3-PHOSPHATE, ... | | Authors: | Nocek, B, Kuznetsova, K, Evdokimova, E, Savchenko, A, Iakunine, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-04-05 | | Release date: | 2011-06-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Crystal structure of glycerol-3 phosphate bound HAD-like phosphatase from Saccharomyces cerevisiae
TO BE PUBLISHED
|
|
1RLK
 | | Structure of Conserved Protein of Unknown Function TA0108 from Thermoplasma acidophilum | | Descriptor: | GLYCEROL, Hypothetical protein Ta0108, SULFATE ION | | Authors: | Osipiuk, J, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-11-25 | | Release date: | 2003-12-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of conserved hypothetical protein TA0108 from Thermoplasma acidophilum
To be Published
|
|
8A0C
 | | Capsular polysaccharide synthesis multienzyme in complex with CMP | | Descriptor: | Bcs3, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | | Deposit date: | 2022-05-27 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
|
|
3J2M
 | | The X-ray structure of the gp15 hexamer and the model of the gp18 protein fitted into the cryo-EM reconstruction of the extended T4 tail | | Descriptor: | Tail connector protein Gp15, Tail sheath protein Gp18 | | Authors: | Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G. | | Deposit date: | 2012-11-09 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (15 Å) | | Cite: | The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
|
|
8A0M
 | | Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment | | Descriptor: | Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | | Deposit date: | 2022-05-29 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
|
|
2OC0
 | | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
|
|
4CDC
 | | Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide | | Descriptor: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
|
|
3RVH
 | | Crystal Structure of JMJD2A Complexed with Inhibitor | | Descriptor: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | | Authors: | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor
To be Published
|
|
1A61
 | | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | | Deposit date: | 1998-03-05 | | Release date: | 1998-06-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
|
|
