4I50
| Crystal structure of tubulin-stathmin-TTL-Epothilone A complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Prota, A.E, Bargsten, K, Zurwerra, D, Field, J.J, Diaz, J.F, Altmann, K.H, Steinmetz, M.O. | Deposit date: | 2012-11-28 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents. Science, 339, 2013
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4AEZ
| Crystal Structure of Mitotic Checkpoint Complex | Descriptor: | MITOTIC SPINDLE CHECKPOINT COMPONENT MAD2, MITOTIC SPINDLE CHECKPOINT COMPONENT MAD3, WD REPEAT-CONTAINING PROTEIN SLP1 | Authors: | Kulkarni, K.A, Chao, W.C.H, Zhang, Z, Barford, D. | Deposit date: | 2012-01-13 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Mitotic Checkpoint Complex Nature, 484, 2012
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5WJF
| Crystal structure of murine 4-1BB from HEK293T cells in P21212 space group | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 9 | Authors: | Zajonc, D.M, Doukov, T, Bitra, A. | Deposit date: | 2017-07-21 | Release date: | 2017-12-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling. J. Biol. Chem., 293, 2018
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5EAH
| Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Difenoconazole | Descriptor: | 1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, ... | Authors: | Tyndall, J.D.A, Sabherwal, M, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | Deposit date: | 2015-10-16 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
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3INE
| Bace1 with the aminohydantoin Compound S-34 | Descriptor: | (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M, Chopra, R. | Deposit date: | 2009-08-12 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J.Med.Chem., 53, 2010
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3CI4
| Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)inamide and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COB(II)INAMIDE, Cobalamin adenosyltransferase PduO-like protein, ... | Authors: | Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2008-03-10 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate. Biochemistry, 47, 2008
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5F8B
| Crystallographic Structure of PsoE with Co | Descriptor: | (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, COBALT (II) ION, GLUTATHIONE, ... | Authors: | Hara, K, Hashimoto, H, Yamamoto, T, Tsunematsu, Y, Watanabe, K. | Deposit date: | 2015-12-09 | Release date: | 2016-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis. Angew. Chem. Int. Ed. Engl., 55, 2016
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3DSO
| Crystal structure of Cu(I) bound copper resistance protein CopK | Descriptor: | COPPER (I) ION, Putative uncharacterized protein copK, THIOCYANATE ION | Authors: | Ash, M.-R, Maher, M.J. | Deposit date: | 2008-07-13 | Release date: | 2009-03-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unprecedented binding cooperativity between Cu(I) and Cu(II) in the copper resistance protein CopK from Cupriavidus metallidurans CH34: implications from structural studies by NMR spectroscopy and X-ray crystallography J.Am.Chem.Soc., 131, 2009
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5VA4
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6FXN
| Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | Authors: | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | Deposit date: | 2018-03-09 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors. Nat Commun, 9, 2018
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2BYZ
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5OLX
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7SFO
| Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 3-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide | Descriptor: | 3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Joyner, C, Reddy, V.K, Wilson, T, Fanning, S.W. | Deposit date: | 2021-10-04 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Estrogen Receptor Alpha To Be Published
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5OLW
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8SVY
| MBP-Mcl1 in complex with ligand 10 | Descriptor: | (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-05-17 | Release date: | 2023-08-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1. Acs Med.Chem.Lett., 14, 2023
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5BQ8
| Crystal structure of Norrin, a Wnt signalling activator, Crystal Form II | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Norrin | Authors: | Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. | Deposit date: | 2015-05-28 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan. Elife, 4, 2015
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4ZYF
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2BZ3
| Structure of E.coli KAS I H298E mutant in complex with C12 fatty acid | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION, LAURIC ACID, ... | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Henriksen, A. | Deposit date: | 2005-08-10 | Release date: | 2006-02-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases. FEBS J., 273, 2006
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5EAE
| Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-desthio-prothioconazole | Descriptor: | (2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | Deposit date: | 2015-10-16 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
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3INF
| Bace1 with the aminohydantoin Compound 37 | Descriptor: | (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M, Chopra, R. | Deposit date: | 2009-08-12 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. J.Med.Chem., 53, 2010
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5AG7
| CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2015-01-29 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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3DSP
| Crystal structure of apo copper resistance protein CopK | Descriptor: | Putative uncharacterized protein copK | Authors: | Ash, M.-R, Maher, M.J. | Deposit date: | 2008-07-13 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unprecedented binding cooperativity between Cu(I) and Cu(II) in the copper resistance protein CopK from Cupriavidus metallidurans CH34: implications from structural studies by NMR spectroscopy and X-ray crystallography J.Am.Chem.Soc., 131, 2009
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3IK8
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7KED
| RNA polymerase II elongation complex with unnatural base dTPT3 | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Oh, J, Wang, W, Wang, D. | Deposit date: | 2020-10-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II. Nat.Chem.Biol., 17, 2021
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7KEF
| RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state | Descriptor: | (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2020-10-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II. Nat.Chem.Biol., 17, 2021
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