3G0E
 
 | | KIT kinase domain in complex with sunitinib | | Descriptor: | Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | | Authors: | Gajiwala, K.S, Wu, J.C, Lunney, E.A, Gemetri, G.D. | | Deposit date: | 2009-01-27 | | Release date: | 2009-02-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3G0F
 | | KIT kinase domain mutant D816H in complex with sunitinib | | Descriptor: | Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SULFATE ION | | Authors: | Gajiwala, K.S, Wu, J.C, Lunney, E.A, Demetri, G.D. | | Deposit date: | 2009-01-27 | | Release date: | 2009-02-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients.
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
4BGL
 | | Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus | | Descriptor: | FE (III) ION, GLYCEROL, SUPEROXIDE REDUCTASE | | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | | Deposit date: | 2013-03-27 | | Release date: | 2014-04-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction
Acta Crystallogr.,Sect.D, 71, 2015
|
|
3T7R
 | |
3T7S
 | |
3T7T
 | |
5OG9
 | | The BM3 mutant WIFI-WC heme domain in complex with testosterone | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gamble, C, Munro, A.W, Leys, D. | | Deposit date: | 2017-07-12 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution
To Be Published
|
|
5HCV
 | |
5OJJ
 | | Crystal structure of the Zn-bound ubiquitin-conjugating enzyme Ube2T | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Ubiquitin-conjugating enzyme E2 T, ... | | Authors: | Morreale, F.E, Testa, A, Chaugule, V.K, Bortoluzzi, A, Ciulli, A, Walden, H. | | Deposit date: | 2017-07-21 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mind the Metal: A Fragment Library-Derived Zinc Impurity Binds the E2 Ubiquitin-Conjugating Enzyme Ube2T and Induces Structural Rearrangements.
J. Med. Chem., 60, 2017
|
|
5OM9
 | | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor | | Descriptor: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION | | Authors: | Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D. | | Deposit date: | 2017-07-28 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library.
ACS Med Chem Lett, 8, 2017
|
|
2QPY
 | | AR LBD with small molecule | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ... | | Authors: | Estebanez-Perpina, E, Fletterick, R. | | Deposit date: | 2007-07-25 | | Release date: | 2007-09-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
7BPR
 | | Crystal structure of human TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101 | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2020-12-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
|
|
7BPS
 | | Crystal structure of mouse TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ... | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
|
|
1F5F
 | | CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | Authors: | Avvakumov, V.A, Muller, Y.A, Hammond, G.L. | | Deposit date: | 2000-06-14 | | Release date: | 2000-09-06 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Steroid-binding specificity of human sex hormone-binding globulin is influenced by occupancy of a zinc-binding site.
J.Biol.Chem., 275, 2000
|
|
3P0U
 | | Crystal Structure of the ligand binding domain of human testicular receptor 4 | | Descriptor: | Nuclear receptor subfamily 2 group C member 2 | | Authors: | Zhou, X.E, Suino-Powell, K.M, Xu, Y, Chan, C.-W, Kruse, S.W, Reynolds, R, Engel, J.D, Xu, H.E. | | Deposit date: | 2010-09-29 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor.
J.Biol.Chem., 286, 2011
|
|
3L3N
 | | Testis ACE co-crystal structure with novel inhibitor lisW | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neil, H.G, Sewell, B.T, Sturrock, E.D. | | Deposit date: | 2009-12-17 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of domain-selective inhibitor binding in angiotensin-converting enzyme using a novel derivative of lisinopril.
Biochem.J., 428, 2010
|
|
3BKL
 | | Testis ACE co-crystal structure with ketone ACE inhibitor kAW | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neill, H.G, Sewell, B.T, Sturrock, E.D. | | Deposit date: | 2007-12-07 | | Release date: | 2008-06-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Probing the basis of domain-dependent inhibition using novel ketone inhibitors of Angiotensin-converting enzyme
Biochemistry, 47, 2008
|
|
2PKL
 | | Androgen receptor LBD with small molecule | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, ARA70 peptide, Androgen receptor, ... | | Authors: | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Guy, K.R, Webb, P, Fletterick, R.J. | | Deposit date: | 2007-04-17 | | Release date: | 2007-09-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2PIT
 | | Androgen receptor LBD with small molecule | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ... | | Authors: | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R. | | Deposit date: | 2007-04-13 | | Release date: | 2007-09-25 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2PIU
 | | Androgen receptor LBD with small molecule | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | | Authors: | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R. | | Deposit date: | 2007-04-13 | | Release date: | 2007-09-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
7F3P
 | | Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent isopropanol dehydrogenase, ZINC ION | | Authors: | Han, X, Bi, Y, Wei, H.L, Gao, J, Li, Q, Qu, G, Sun, Z.T, Liu, W.D. | | Deposit date: | 2021-06-16 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7OOJ
 | | Structure of D-Thr53 Ubiquitin | | Descriptor: | CADMIUM ION, Ubiquitin | | Authors: | Becker, S. | | Deposit date: | 2021-05-27 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A litmus test for classifying recognition mechanisms of transiently binding proteins.
Nat Commun, 13, 2022
|
|
7EAG
 | | Crystal structure of the RAGATH-18 k-turn | | Descriptor: | RNA (5'-R(*GP*UP*CP*UP*AP*UP*GP*AP*AP*GP*GP*CP*UP*GP*GP*AP*GP*AP*C)-3') | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2021-03-07 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules.
Nucleic Acids Res., 49, 2021
|
|
7EAF
 | |
6Y81
 | | Fragment KCL_1088 in complex with MAP kinase p38-alpha | | Descriptor: | (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide, 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
|
|
