4DZ6
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3SX5
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![BU of 3sx5 by Molmil](/molmil-images/mine/3sx5) | Crystal structure of AABB+UDP+Gal with MPD as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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3SXB
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![BU of 3sxb by Molmil](/molmil-images/mine/3sxb) | Crystal structure of ABBB+UDP+Gal with MPD as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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5N1Q
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![BU of 5n1q by Molmil](/molmil-images/mine/5n1q) | METHYL-COENZYME M REDUCTASE III FROM METHANOTHERMOCOCCUS THERMOLITHOTROPHICUS AT 1.9 A RESOLUTION | Descriptor: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | Deposit date: | 2017-02-06 | Release date: | 2017-06-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales. J.Bacteriol., 199, 2017
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6PFN
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![BU of 6pfn by Molmil](/molmil-images/mine/6pfn) | Succinyl-CoA synthase from Francisella tularensis | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-06-21 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Succinyl-CoA synthase from Francisella tularensis to be published
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7NDP
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![BU of 7ndp by Molmil](/molmil-images/mine/7ndp) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor. Rsc Adv, 11, 2021
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4G21
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![BU of 4g21 by Molmil](/molmil-images/mine/4g21) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-11 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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4G2I
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![BU of 4g2i by Molmil](/molmil-images/mine/4g2i) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-12 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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5CXG
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![BU of 5cxg by Molmil](/molmil-images/mine/5cxg) | Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional repressor KstR, TRIETHYLENE GLYCOL | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-07-28 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1001 Å) | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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3SXA
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![BU of 3sxa by Molmil](/molmil-images/mine/3sxa) | Crystal structure of ABBB+UDP+Gal with Glycerol as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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3SXG
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![BU of 3sxg by Molmil](/molmil-images/mine/3sxg) | Crystal structure of AAAA+UDP+Gal with MPD as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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4JZ9
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4JZ8
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4G1Y
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![BU of 4g1y by Molmil](/molmil-images/mine/4g1y) | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | Descriptor: | (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | Deposit date: | 2012-07-11 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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4JB4
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![BU of 4jb4 by Molmil](/molmil-images/mine/4jb4) | Expression, Purification, Characterization, and Solution NMR Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility | Descriptor: | Cytochrome c peroxidase, mitochondrial, FLUORIDE ION, ... | Authors: | Wohlkonig, A.C. | Deposit date: | 2013-02-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Expression, purification, characterization, and solution nuclear magnetic resonance study of highly deuterated yeast cytochrome C peroxidase with enhanced solubility. Biochemistry, 52, 2013
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4TQ8
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![BU of 4tq8 by Molmil](/molmil-images/mine/4tq8) | Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | Descriptor: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | Authors: | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | Deposit date: | 2014-06-10 | Release date: | 2015-06-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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6FFG
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![BU of 6ffg by Molmil](/molmil-images/mine/6ffg) | Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone | Descriptor: | (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Chung, C. | Deposit date: | 2018-01-07 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J.Med.Chem., 61, 2018
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3SX3
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![BU of 3sx3 by Molmil](/molmil-images/mine/3sx3) | Crystal structure of AABB+UDP+Gal with glycerol as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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3SX8
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![BU of 3sx8 by Molmil](/molmil-images/mine/3sx8) | Crystal structure of ABBA+UDP+Gal with MPD as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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3SXE
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![BU of 3sxe by Molmil](/molmil-images/mine/3sxe) | Crystal structure of AAAA+UDP+Gal with Glycerol as the cryoprotectant | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Johal, A.R, Evans, S.V. | Deposit date: | 2011-07-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
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6SYF
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![BU of 6syf by Molmil](/molmil-images/mine/6syf) | Human Ubc9 with covalent isopeptide ligand | Descriptor: | ACE-ILE-LYS-GLN-GLU, ACE-LEU-ARG-LEU-ARG-GLY-CYS, SUMO-conjugating enzyme UBC9 | Authors: | Hofmann, R, Akimoto, G, Wucherpfennig, T.G, Zeymer, C, Bode, J.W. | Deposit date: | 2019-09-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lysine acylation using conjugating enzymes for site-specific modification and ubiquitination of recombinant proteins. Nat.Chem., 12, 2020
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2MAS
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![BU of 2mas by Molmil](/molmil-images/mine/2mas) | PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR | Descriptor: | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL, CALCIUM ION, INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE | Authors: | Degano, M, Schramm, V.L, Sacchettini, J.C. | Deposit date: | 1996-10-17 | Release date: | 1997-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor. Biochemistry, 37, 1998
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2QE4
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![BU of 2qe4 by Molmil](/molmil-images/mine/2qe4) | Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | Authors: | Norman, B.H, Richardson, T.I, Dodge, J.A, Pfeifer, L.A, Durst, G.L, Wang, Y, Durbin, J.D, Krishnan, V, Dinn, S.R, Liu, S.Q, Reilly, J.E, Ryter, K.T. | Deposit date: | 2007-06-22 | Release date: | 2007-09-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: Functionalization of the benzopyran A-ring. Bioorg.Med.Chem.Lett., 17, 2007
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5CXI
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![BU of 5cxi by Molmil](/molmil-images/mine/5cxi) | Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA) | Descriptor: | 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-07-29 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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4Z9L
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![BU of 4z9l by Molmil](/molmil-images/mine/4z9l) | THE STRUCTURE OF JNK3 IN COMPLEX WITH AN IMIDAZOLE-PYRIMIDINE INHIBITOR | Descriptor: | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Scapin, G, Patel, S.B, Lisnock, J, Becker, J.W, Lograsso, P.V, Smart, O.S, Bricogne, G. | Deposit date: | 2015-04-10 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity. Chem.Biol., 10, 2003
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