1T8H
 
 | | 1.8 A CRYSTAL STRUCTURE OF AN UNCHARACTERIZED B. STEAROTHERMOPHILUS PROTEIN | | Descriptor: | BETA-MERCAPTOETHANOL, YlmD protein sequence homologue, ZINC ION | | Authors: | Minasov, G, Shuvalova, L, Mondragon, A, Taneja, B, Moy, S.F, Collart, F.R, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-12 | | Release date: | 2004-05-18 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 A CRYSTAL STRUCTURE OF AN UNCHARACTERIZED B. STEAROTHERMOPHILUS PROTEIN
To be Published
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2I39
 | | Crystal structure of Vaccinia virus N1L protein | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Protein N1 | | Authors: | Aoyagi, M, Aleshin, A.E, Stec, B, Liddington, R.C. | | Deposit date: | 2006-08-17 | | Release date: | 2006-11-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Vaccinia virus N1L protein resembles a B cell lymphoma-2 (Bcl-2) family protein.
Protein Sci., 16, 2007
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6DQ9
 | | Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-06-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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4RRN
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | Descriptor: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | Authors: | Thomas, A.A, Hunt, K.W, Newhouse, B, Watts, R.J, Liu, X, Vigers, G.P.A, Smith, D, Rhodes, S.P, Brown, K.D, Otten, J.N, Burkard, M, Cox, A.A, Geck Do, M.K, Dutcher, D, Rana, S, DeLisle, R.K, Regal, K, Wright, A.D, Groneberg, R, Liao, J, Scearce-Levie, K, Siu, M, Purkey, H.E, Lyssikatos, J.P. | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-03 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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4ZT2
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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5EA0
 | | Structure of the antibody 7968 with human complement factor H-derived peptide | | Descriptor: | Complement factor H-related protein 2, Heavy chain of antibody 7968 Fab fragment, Light chain of antibody 7968 Fab fragment | | Authors: | Bushey, R.T, Moody, M.A, Nicely, N.I, Alam, S.M, Haynes, B.F, Winkler, M.T, Gottlin, E.B, Campa, M.J, Liao, H.-X, Patz Jr, E.F. | | Deposit date: | 2015-10-15 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Therapeutic Antibody for Cancer, Derived from Single Human B Cells.
Cell Rep, 15, 2016
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4ZT3
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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2JIE
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6GRQ
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3HDN
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2Z3F
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3HDM
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4FKM
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2CU9
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2KJR
 | | Solution NMR structure of the N-terminal Ubiquitin-like Domain from Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast Structural Genomics Consortium Target FR629A (residues 8-92) | | Descriptor: | CG11242 | | Authors: | Ramelot, T.A, Cort, J.R, Shastry, R, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-06-08 | | Release date: | 2009-06-23 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the N-terminal Ubiquitin-like Domain from
Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast
Structural Genomics Consortium Target FR629A (residues 8-92)
To be Published
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6DQ8
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-06-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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3IMX
 | | Crystal Structure of human glucokinase in complex with a synthetic activator | | Descriptor: | (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... | | Authors: | Stams, T, Vash, B. | | Deposit date: | 2009-08-11 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
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1K41
 | | Crystal structure of KSI Y57S mutant | | Descriptor: | Ketosteroid Isomerase | | Authors: | Cha, S.S, Oh, B.H, Nam, G.H, Jang, D.S, Lee, T.H, Choi, K.Y. | | Deposit date: | 2001-10-05 | | Release date: | 2002-10-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Maintenance of alpha-helical structures by phenyl rings in the active-site tyrosine triad contributes to catalysis and stability of ketosteroid isomerase from Pseudomonas putida biotype B
Biochemistry, 40, 2001
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6HMW
 | | Cholera toxin classical B-pentamer in complex with fucose | | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin B-subunit, ... | | Authors: | Krengel, U, Heim, J.B. | | Deposit date: | 2018-09-13 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site.
Sci Rep, 9, 2019
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2I7B
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4MJX
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5OOG
 | | Human biliverdin IX beta reductase: NADP/Phloxine B ternary complex | | Descriptor: | Flavin reductase (NADPH), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Manso, J.A, Pereira, P.J.B. | | Deposit date: | 2017-08-07 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | In silicoand crystallographic studies identify key structural features of biliverdin IX beta reductase inhibitors having nanomolar potency.
J. Biol. Chem., 293, 2018
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5U3J
 | | Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide | | Descriptor: | DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide | | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | | Deposit date: | 2016-12-02 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
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5TU7
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3DRR
 | | HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e | | Descriptor: | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Yan, Y. | | Deposit date: | 2008-07-11 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
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