8SDQ
 
 | |
8SDO
 | |
3QP2
 | | Crystal structure of CviR ligand-binding domain bound to C8-HSL | | Descriptor: | CviR transcriptional regulator, N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE | | Authors: | Chen, G, Swem, L, Swem, D, Stauff, D, O'Loughlin, C, Jeffrey, P, Bassler, B, Hughson, F. | | Deposit date: | 2011-02-11 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.638 Å) | | Cite: | A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
|
|
6SBT
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution | | Descriptor: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Moellerud, S, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2019-07-22 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology.
Acs Chem Neurosci, 10, 2019
|
|
6PRZ
 | | XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
|
|
6SIW
 | | PaaK family AMP-ligase with AMP | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
2NW4
 | | Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929 | | Descriptor: | 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor | | Authors: | Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G. | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats.
Endocrinology, 148, 2007
|
|
4WQJ
 | |
8JBA
 | |
3L11
 | | Crystal Structure of the Ring Domain of RNF168 | | Descriptor: | E3 ubiquitin-protein ligase RNF168, MALONATE ION, ZINC ION | | Authors: | Neculai, D, Yermekbayeva, L, Crombet, L, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-12-10 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Molecular insights into the function of RING finger (RNF)-containing proteins hRNF8 and hRNF168 in Ubc13/Mms2-dependent ubiquitylation.
J.Biol.Chem., 287, 2012
|
|
4LSJ
 | | Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide | | Descriptor: | D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide | | Authors: | Carson, M, Luz, J.G, Clawson, D, Coghlan, M. | | Deposit date: | 2013-07-22 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.
J.Med.Chem., 57, 2014
|
|
3KEI
 | |
7CNN
 | | vinorelbine in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, Y.X, Wu, C.Y. | | Deposit date: | 2020-08-02 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
|
|
7CNO
 | | Phomopsin A in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-08-02 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
|
|
7CNM
 | | YDX in complex with tubulin | | Descriptor: | (2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y.X, Wu, C.Y. | | Deposit date: | 2020-08-02 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
|
|
5HS6
 | | Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with Estrone | | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | | Deposit date: | 2016-01-25 | | Release date: | 2016-07-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 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
|
|
1LDR
 | |
5HKF
 | | Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with 5-phospho-alpha-D-ribosyl 1-diphosphate (PRPP) | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Orotate phosphoribosyltransferase | | Authors: | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
Sci Rep, 7, 2017
|
|
5HKL
 | |
5HKI
 | | Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with Fe(III) dicitrate | | Descriptor: | Iron(III) dicitrate, Orotate phosphoribosyltransferase | | Authors: | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
Sci Rep, 7, 2017
|
|
8S9H
 | | Crystal structure of monkey TLR7 ectodomain with compound 14 | | Descriptor: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Critton, D.A. | | Deposit date: | 2023-03-28 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.437 Å) | | Cite: | Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
|
|
7MJR
 | | Vip4Da2 toxin structure | | Descriptor: | CALCIUM ION, SULFATE ION, Vip4Da1 protein | | Authors: | Rydel, T.J, Duda, D, Zheng, M, Henry, A. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm.
Plos One, 16, 2021
|
|
7ML9
 | | The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ... | | Authors: | Rydel, T.J, Zheng, M, Evdokimov, A. | | Deposit date: | 2021-04-27 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
|
|
8R2I
 | | Cryo-EM Structure of native Photosystem II assembly intermediate from Chlamydomonas reinhardtii | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | | Authors: | Fadeeva, M, Klaiman, D, Kandiah, E, Nelson, N. | | Deposit date: | 2023-11-06 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of native photosystem II assembly intermediate from Chlamydomonas reinhardtii .
Front Plant Sci, 14, 2023
|
|
1B9J
 | |
