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6U5L
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BU of 6u5l by Molmil
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
4GGN
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BU of 4ggn by Molmil
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
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BU of 4gft by Molmil
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
1XG6
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BU of 1xg6 by Molmil
The crystal structure of the P1 mutant (Leu to Arg)of a Winged bean chymotrypsin inhibitor(Kunitz)solved at 2.15A resolution
Descriptor: Chymotrypsin inhibitor 3
Authors:Sen, U, Dattagupta, J.K, Dasgupta, J, Khamrui, S.
Deposit date:2004-09-16
Release date:2005-08-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Single mutation at P1 of a chymotrypsin inhibitor changes it to a trypsin inhibitor: X-ray structural (2.15 A) and biochemical basis
Biochim.Biophys.Acta, 1752, 2005
3I2X
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BU of 3i2x by Molmil
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
3I29
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BU of 3i29 by Molmil
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
3I2A
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BU of 3i2a by Molmil
Crystal structure of a chimeric trypsin inhibitor protein STI(L)-WCI(S)
Descriptor: CHLORIDE ION, Chymotrypsin inhibitor 3
Authors:Sen, U, Khamrui, S.
Deposit date:2009-06-29
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 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
8E8T
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BU of 8e8t by Molmil
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
8E8V
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BU of 8e8v by Molmil
Structure of the short LOR domain of human AASS bound to N-ethylsuccinimide
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, 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 (2.45 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
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BU of 8e8u by Molmil
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
6U3J
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BU of 6u3j by Molmil
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
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BU of 6uwy by Molmil
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
2QYI
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BU of 2qyi by Molmil
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
2ESU
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BU of 2esu by Molmil
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
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BU of 3qyd by Molmil
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
2BEB
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BU of 2beb by Molmil
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
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BU of 2bea by Molmil
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
2ET2
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BU of 2et2 by Molmil
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
3RX6
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BU of 3rx6 by Molmil
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
3VEQ
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BU of 3veq by Molmil
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
4TLP
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BU of 4tlp by Molmil
Crystal structure of a alanine91 mutant of WCI
Descriptor: Chymotrypsin inhibitor 3
Authors:Sen, U, Majumder, S.
Deposit date:2014-05-30
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A conserved tryptophan (W91) at the barrel-lid junction modulates the packing and stability of Kunitz (STI) family of inhibitors.
Biochim.Biophys.Acta, 1854, 2015
4DVD
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BU of 4dvd by Molmil
Crystal structure of the disulphide linked knotted homodimer of Psu
Descriptor: Polarity suppression protein
Authors:Banerjee, R, Nath, S, Sen, U.
Deposit date:2012-02-23
Release date:2012-11-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 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
4LX8
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BU of 4lx8 by Molmil
Crystal structure (2.2A) of Mg2+ bound CheY3 of Vibrio cholerae
Descriptor: Chemotaxis protein CheY, MAGNESIUM ION
Authors:Dasgupta, J, Biswas, M.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational Barrier of CheY3 and Inability of CheY4 to Bind FliM Control the Flagellar Motor Action in Vibrio cholerae
Plos One, 8, 2013
3TO5
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BU of 3to5 by Molmil
High resolution structure of CheY3 from Vibrio cholerae
Descriptor: CALCIUM ION, CheY homolog
Authors:Dasgupta, J, Sen, U, Biswas, M.
Deposit date:2011-09-04
Release date:2012-09-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conformational Barrier of CheY3 and Inability of CheY4 to Bind FliM Control the Flagellar Motor Action in Vibrio cholerae
Plos One, 8, 2013
4H60
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BU of 4h60 by Molmil
High resolution structure of Vibrio cholerae chemotaxis protein CheY4 crystallized in low pH (4.0) condition
Descriptor: CALCIUM ION, Chemotaxis protein CheY, SULFATE ION
Authors:Biswas, M, Dasgupta, J, Sen, U.
Deposit date:2012-09-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational Barrier of CheY3 and Inability of CheY4 to Bind FliM Control the Flagellar Motor Action in Vibrio cholerae.
Plos One, 8, 2013

 

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