3U6F
 
 | | Mouse TREX1 D200N mutant | | Descriptor: | 1,4-BUTANEDIOL, 5'-D(*GP*AP*CP*G)-3', MAGNESIUM ION, ... | | Authors: | Bailey, S.L, Harvey, S, Perrino, F.W, Hollis, T. | | Deposit date: | 2011-10-12 | | Release date: | 2011-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Defects in DNA degradation revealed in crystal structures of TREX1 exonuclease mutations linked to autoimmune disease.
Dna Repair, 11, 2012
|
|
4NYF
 | | HIV integrase in complex with inhibitor | | Descriptor: | (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, Integrase | | Authors: | Coulombe, R, Fader, L. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.
ACS Med Chem Lett, 5, 2014
|
|
1U1G
 | | Structure of E. coli uridine phosphorylase complexed to 5-(m-(benzyloxy)benzyl)barbituric acid (BBBA) | | Descriptor: | 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE, POTASSIUM ION, Uridine phosphorylase | | Authors: | Bu, W, Settembre, E.C, Ealick, S.E. | | Deposit date: | 2004-07-15 | | Release date: | 2005-07-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for inhibition of Escherichia coli uridine phosphorylase by 5-substituted acyclouridines.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
4NR7
 | | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, CREB-binding protein | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Krojer, T, Nowak, R, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
|
|
2DA9
 | | Solution structure of the third SH3 domain of SH3-domain kinase binding protein 1 (Regulator of ubiquitous kinase, Ruk) | | Descriptor: | SH3-domain kinase binding protein 1 | | Authors: | Ohnishi, S, Kigawa, T, Saito, K, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-13 | | Release date: | 2006-06-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the third SH3 domain of SH3-domain kinase binding protein 1 (Regulator of ubiquitous kinase, Ruk)
To be Published
|
|
5EV8
 | | Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 | | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
3U91
 | |
3U7S
 | | HIV PR drug resistant patient's variant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, Pol polyprotein | | Authors: | Saskova, K.G, Rezacova, P, Konvalinka, J, Brynda, J, Kozisek, M. | | Deposit date: | 2011-10-14 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir.
J.Virol., 83, 2009
|
|
4CDK
 | | Structure of ZNRF3-RSPO1 | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE ZNRF3, R-SPONDIN-1 | | Authors: | Peng, W.C, de Lau, W, Madoori, P.K, Forneris, F, Granneman, J.C.M, Clevers, H, Gros, P. | | Deposit date: | 2013-11-01 | | Release date: | 2014-01-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Wnt-Antagonist Znrf3 and its Complex with R-Spondin 1 and Implications for Signaling.
Plos One, 8, 2013
|
|
7H6C
 | |
2RIY
 | | B-specific-1,3-galactosyltransferase (GTB)+H-antigen acceptor | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Authors: | Evans, S.V, Alfaro, J.A. | | Deposit date: | 2007-10-13 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
|
|
4E7C
 | |
1PMI
 | | Candida Albicans Phosphomannose Isomerase | | Descriptor: | PHOSPHOMANNOSE ISOMERASE, ZINC ION | | Authors: | Cleasby, A, Skarzynski, T, Wonacott, A, Davies, G.J, Hubbard, R.E, Proudfoot, A.E.I, Wells, T.N.C, Payton, M.A, Bernard, A.R. | | Deposit date: | 1996-04-03 | | Release date: | 1997-03-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution.
Nat.Struct.Biol., 3, 1996
|
|
4O7F
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527 | | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine, Bromodomain-containing protein 4, ... | | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | | Deposit date: | 2013-12-24 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
|
|
7WWI
 | | SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ... | | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | | Deposit date: | 2022-02-13 | | Release date: | 2023-02-15 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation
To Be Published
|
|
7H69
 | | THE 1.67 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid | | Descriptor: | 1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ... | | Authors: | Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H. | | Deposit date: | 2024-04-19 | | Release date: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structures of human Chymase and Cathepsin G
To be published
|
|
4IGW
 | | Crystal structure of kirola (Act d 11) in P6122 space group | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kirola, ... | | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | | Deposit date: | 2012-12-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
|
|
3E73
 | | Crystal Structure of Human LanCL1 complexed with GSH | | Descriptor: | GLUTATHIONE, LanC-like protein 1, ZINC ION | | Authors: | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | | Deposit date: | 2008-08-17 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
|
|
4C1S
 | | Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE | | Authors: | Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J. | | Deposit date: | 2013-08-13 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
|
|
5S9R
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | Descriptor: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
|
|
5S9O
 | | CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
|
|
1TZP
 | | MEPA, inactive form without ZN in P21 | | Descriptor: | 1,4-BUTANEDIOL, Penicillin-insensitive murein endopeptidase, SULFATE ION | | Authors: | Marcyjaniak, M, Odintsov, S.G, Sabala, I, Bochtler, M. | | Deposit date: | 2004-07-11 | | Release date: | 2004-09-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Peptidoglycan amidase MepA is a LAS metallopeptidase
J.Biol.Chem., 279, 2004
|
|
2DC5
 | | Crystal structure of mouse glutathione S-transferase, mu7 (GSTM7) at 1.6 A resolution | | Descriptor: | Glutathione S-transferase, mu 7 | | Authors: | Kamo, S, Kishishita, S, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-28 | | Release date: | 2006-06-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of mouse glutathione S-transferase, mu7 (GSTM7) at 1.6 A resolution
To be Published
|
|
7H6D
 | |
1CVL
 | | CRYSTAL STRUCTURE OF BACTERIAL LIPASE FROM CHROMOBACTERIUM VISCOSUM ATCC 6918 | | Descriptor: | CALCIUM ION, TRIACYLGLYCEROL HYDROLASE | | Authors: | Lang, D.A, Hofmann, B, Haalck, L, Hecht, H.-J, Spener, F, Schmid, R.D, Schomburg, D. | | Deposit date: | 1997-01-09 | | Release date: | 1997-04-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a bacterial lipase from Chromobacterium viscosum ATCC 6918 refined at 1.6 angstroms resolution.
J.Mol.Biol., 259, 1996
|
|
