6U3J
 
 | | Structure of the 2-oxoadipate dehydrogenase DHTKD1 | | Descriptor: | 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, MAGNESIUM ION, ... | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2019-08-21 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inhibition and Crystal Structure of the Human DHTKD1-Thiamin Diphosphate Complex.
Acs Chem.Biol., 15, 2020
|
|
6UWY
 | | DYRK1A bound to a harmine derivative | | Descriptor: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2019-11-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
|
|
8E8V
 | |
8E8T
 | | Structure of the short LOR domain of human AASS | | Descriptor: | Alpha-aminoadipic semialdehyde synthase, mitochondrial | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2022-08-25 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
|
|
8E8U
 | | Structure of the LOR domain of human AASS | | Descriptor: | Alpha-aminoadipic semialdehyde synthase, mitochondrial, MAGNESIUM ION | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2022-08-25 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
|
|
6U5L
 | | Structure of human ULK4 in complex with an inhibitor | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N~2~-(1H-benzimidazol-6-yl)-N~4~-(5-cyclobutyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, ... | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2019-08-28 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | High-Resolution Structure and Inhibition of the Schizophrenia-Linked Pseudokinase ULK4.
J.Am.Chem.Soc., 142, 2020
|
|
3I29
 | | Crystal structure of a binary complex between an mutant trypsin inhibitor with bovine trypsin | | Descriptor: | CALCIUM ION, Cationic trypsin, Chymotrypsin inhibitor 3 | | Authors: | Khamrui, S, Majumder, S, Dasgupta, J, Dattagupta, J.K, Sen, U. | | Deposit date: | 2009-06-29 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
Biochim.Biophys.Acta, 1824, 2012
|
|
2QYI
 | | Crystal structure of a binary complex between an engineered trypsin inhibitor and Bovine trypsin | | Descriptor: | CALCIUM ION, Cationic trypsin, Chymotrypsin inhibitor 3, ... | | Authors: | Khamrui, S, Dasgupta, J, Dattagupta, J.K, Sen, U. | | Deposit date: | 2007-08-15 | | Release date: | 2008-08-19 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a binary complex between an engineered trypsin inhibitor and Bovine trypsin
To be Published
|
|
4GGN
 | | Malaria invasion machinery protein complex | | Descriptor: | Myosin A tail domain interacting protein MTIP, Myosin-A | | Authors: | Khamrui, S, Turley, S, Bergman, L.W, Hol, W.G.J. | | Deposit date: | 2012-08-06 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody.
Mol.Biochem.Parasitol., 190, 2013
|
|
4GFT
 | | Malaria invasion machinery protein-Nanobody complex | | Descriptor: | 1,2-ETHANEDIOL, Myosin A tail domain interacting protein, Nanobody | | Authors: | Khamrui, S, Turley, S, Pardon, E, Steyaert, J, Verlinde, C, Fan, E, Bergman, L.W, Hol, W.G.J. | | Deposit date: | 2012-08-03 | | Release date: | 2013-07-03 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody.
Mol.Biochem.Parasitol., 190, 2013
|
|
2ESU
 | | Crystal structure of Asn to Gln mutant of Winged Bean Chymotrypsin Inhibitor protein | | Descriptor: | Chymotrypsin inhibitor 3, NICKEL (II) ION, SULFATE ION | | Authors: | Dattagupta, J.K, Sen, U, Dasgupta, J, Khamrui, S. | | Deposit date: | 2005-10-27 | | Release date: | 2006-06-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Spacer Asn Determines the Fate of Kunitz (STI) Inhibitors, as Revealed by Structural and Biochemical Studies on WCI Mutants.
Biochemistry, 45, 2006
|
|
3QYD
 | | Crystal structure of a recombinant chimeric trypsin inhibitor | | Descriptor: | Chymotrypsin inhibitor 3 | | Authors: | Sen, U, Majumder, S, Khamrui, S, Dasgupta, J. | | Deposit date: | 2011-03-03 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
Biochim.Biophys.Acta, 1824, 2012
|
|
1XG6
 | |
2ET2
 | | Crystal structure of an Asn to Ala mutant of Winged Bean Chymotrypsin Inhibitor protein | | Descriptor: | Chymotrypsin inhibitor 3, NICKEL (II) ION, SULFATE ION | | Authors: | Dattagupta, J.K, Sen, U, Dasgupta, J, Khamrui, S. | | Deposit date: | 2005-10-27 | | Release date: | 2006-06-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Spacer Asn Determines the Fate of Kunitz (STI) Inhibitors, as Revealed by Structural and Biochemical Studies on WCI Mutants.
Biochemistry, 45, 2006
|
|
3I2A
 | |
3I2X
 | | Crystal structure of a chimeric trypsin inhibitor having reactive site loop of ETI on the scaffold of WCI | | Descriptor: | Chymotrypsin inhibitor 3 | | Authors: | Sen, U, Khamrui, S, Dasgupta, J, Dattagupta, J.K, Majumder, S. | | Deposit date: | 2009-06-30 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Identification of a novel set of scaffolding residues that are instrumental for the inhibitory property of Kunitz (STI) inhibitors.
Protein Sci., 19, 2010
|
|
2BEB
 | | X-ray structure of Asn to Thr mutant of Winged Bean Chymotrypsin inhibitor | | Descriptor: | Chymotrypsin inhibitor 3 | | Authors: | Dattagupta, J.K, Sen, U, Dasgupta, J, Khamrui, S. | | Deposit date: | 2005-10-24 | | Release date: | 2006-06-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Spacer Asn Determines the Fate of Kunitz (STI) Inhibitors, as Revealed by Structural and Biochemical Studies on WCI Mutants.
Biochemistry, 45, 2006
|
|
2BEA
 | | Crystal structure of Asn14 to Gly mutant of WCI | | Descriptor: | Chymotrypsin inhibitor 3 | | Authors: | Dattagupta, J.K, Sen, U, Dasgupta, J, Khamrui, S. | | Deposit date: | 2005-10-24 | | Release date: | 2006-06-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Spacer Asn Determines the Fate of Kunitz (STI) Inhibitors, as Revealed by Structural and Biochemical Studies on WCI Mutants.
Biochemistry, 45, 2006
|
|
3VEQ
 | | A binary complex betwwen bovine pancreatic trypsin and a engineered mutant trypsin inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, Chymotrypsin inhibitor 3 | | Authors: | Sen, U, Majumder, S, Khamrui, S, Dasgupta, J. | | Deposit date: | 2012-01-09 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
Biochim.Biophys.Acta, 1824, 2012
|
|
3RX6
 | | Crystal structure of Polarity Suppression protein from Enterobacteria phage P4 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, MERCURY (II) ION, ... | | Authors: | Banerjee, R, Nath, S, Khamrui, S, Sen, R, Sen, U. | | Deposit date: | 2011-05-10 | | Release date: | 2012-07-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.039 Å) | | Cite: | The first structure of polarity suppression protein, Psu from enterobacteria phage P4, reveals a novel fold and a knotted dimer
J.Biol.Chem., 287, 2012
|
|
