4PHU
 
 | | Crystal structure of Human GPR40 bound to allosteric agonist TAK-875 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIMETHYL SULFOXIDE, Free fatty acid receptor 1,Lysozyme, ... | | Authors: | Srivastava, A, Yano, J.K, Hirozane, Y, Kefala, G, Snell, G, Lane, W, Gruswitz, F, Ivetac, A, Aertgeerts, K, Nguyen, J, Jennings, A, Okada, K. | | Deposit date: | 2014-05-07 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.332 Å) | | Cite: | High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875.
Nature, 513, 2014
|
|
8DEG
 | | Crystal structure of DLK in complex with inhibitor DN0011197 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | | Authors: | Srivastava, A, Lexa, K, de Vicente, J. | | Deposit date: | 2022-06-20 | | Release date: | 2022-12-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
|
|
6W3H
 | | Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATV Fc, Transferrin receptor protein 1,Transferrin receptor protein 1 | | Authors: | Srivastava, A, Kariolis, M, Wells, R. | | Deposit date: | 2020-03-09 | | Release date: | 2020-06-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys.
Sci Transl Med, 12, 2020
|
|
1VBP
 | | Crystal structure of artocarpin-mannopentose complex | | Descriptor: | SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | | Authors: | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | | Deposit date: | 2004-02-28 | | Release date: | 2004-06-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity
J.Mol.Biol., 338, 2004
|
|
1VBO
 | | Crystal structure of artocarpin-mannotriose complex | | Descriptor: | alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, artocarpin | | Authors: | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | | Deposit date: | 2004-02-28 | | Release date: | 2004-06-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity
J.Mol.Biol., 338, 2004
|
|
2VXY
 | | The structure of FTsZ from Bacillus subtilis at 1.7A resolution | | Descriptor: | CELL DIVISION PROTEIN FTSZ, CITRIC ACID, POTASSIUM ION | | Authors: | Barynin, V.V, Baker, P.J, Rice, D.W, Sedelnikova, S.E, Haydon, D.J, Stokes, N.R, Ure, R, Galbraith, G, Bennett, J.M, Brown, D.R, Heal, J.R, Sheridan, J.M, Aiwale, S.T, Chauhan, P.K, Srivastava, A, Taneja, A, Collins, I, Errington, J, Czaplewski, L.G. | | Deposit date: | 2008-07-15 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An Inhibitor of Ftsz with Potent and Selective Anti-Staphylococcal Activity.
Science, 321, 2008
|
|
4DPM
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with CoA | | Descriptor: | COENZYME A, MAGNESIUM ION, Malonyl-CoA/succinyl-CoA reductase | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
|
|
4DPK
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota | | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, PHOSPHATE ION | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
|
|
1SFY
 | | Crystal structure of recombinant Erythrina corallodandron Lectin | | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | | Authors: | Kulkarni, K.A, Srivastava, A, Mitra, N, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2004-02-21 | | Release date: | 2004-08-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Effect of glycosylation on the structure of Erythrina corallodendron lectin.
Proteins, 56, 2004
|
|
6K8Q
 | | Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae | | Descriptor: | Mitochondrial import inner membrane translocase subunit TIM21 | | Authors: | Bala, S, Shinya, S, Srivastava, A, Shimada, A, Kobayashi, N, Kojima, C, Tama, F, Miyashita, O, Kohda, D. | | Deposit date: | 2019-06-13 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
|
|
4DPL
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with NadP | | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2013-01-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
|
|
4P1T
 | | Crystal structure of the DBL3X-DBL4epsilon double domain from the extracellular part of VAR2CSA PfEMP1 from Plasmodium falciparum | | Descriptor: | Erythrocyte membrane protein 1 | | Authors: | Gangnard, S, Dechavanne, S, Srivastava, A, Amirat, F, Gamain, B, Lewit-Bentley, A, Bentley, G.A. | | Deposit date: | 2014-02-27 | | Release date: | 2015-03-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the DBL3X-DBL4 epsilon region of the VAR2CSA placental malaria vaccine candidate: insight into DBL domain interactions.
Sci Rep, 5, 2015
|
|
8BIK
 | | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | | Descriptor: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | | Deposit date: | 2022-11-02 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
|
|
1X1V
 | | Structure Of Banana Lectin- Methyl-Alpha-Mannose Complex | | Descriptor: | HEXANE-1,6-DIOL, ZINC ION, lectin, ... | | Authors: | Singh, D.D, Saikrishnan, K, Kumar, P, Surolia, A, Sekar, K, Vijayan, M. | | Deposit date: | 2005-04-14 | | Release date: | 2005-11-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Unusual sugar specificity of banana lectin from Musa paradisiaca and its probable evolutionary origin. Crystallographic and modelling studies
Glycobiology, 15, 2005
|
|
4UVE
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | | Descriptor: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
|
|
4UVG
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | | Descriptor: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
|
|
8T8R
 | | Sortilin-PGRN peptide complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Paragranulin peptide, Sortilin, ... | | Authors: | Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G. | | Deposit date: | 2023-06-23 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural studies of Sortilin-PGRN peptide complex
To Be Published
|
|
8T8S
 | | Sortilin-PGRN peptide complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Paragranulin peptide, ... | | Authors: | Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G. | | Deposit date: | 2023-06-23 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural studies of Sortilin-PGRN peptide complex
To Be Published
|
|
4UVH
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 10 | | Descriptor: | ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
|
|
4UVI
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | | Descriptor: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
|
|
4UVD
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
|
|
6FBV
 | | Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Das, K, Lin, W, Ebright, E. | | Deposit date: | 2017-12-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
|
|
3EOZ
 | | Crystal Structure of Phosphoglycerate Mutase from Plasmodium Falciparum, PFD0660w | | Descriptor: | GLYCEROL, PHOSPHATE ION, putative Phosphoglycerate mutase | | Authors: | Wernimont, A.K, Tempel, W, Lam, A, Zhao, Y, Lew, J, Lin, Y.H, Wasney, G, Vedadi, M, Kozieradzki, I, Cossar, D, Schapira, M, Weigelt, J, Arrowsmith, C.H, Bochkarev, A, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-09-29 | | Release date: | 2008-11-25 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization of a new phosphatase from Plasmodium.
Mol.Biochem.Parasitol., 179, 2011
|
|
6VQF
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST | | Descriptor: | (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2020-02-05 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
|
|
7D1C
 | | Crystal structure of mouse Cryptochrome 1 in complex with compound TH303 | | Descriptor: | Cryptochrome-1, N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide | | Authors: | Miller, S.A, Hirota, T. | | Deposit date: | 2020-09-14 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
|
|
