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PDB: 33 results

6B94
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BU of 6b94 by Molmil
Crystal structure of Human galectin-1 in complex with Lactulose
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, Galectin-1, ...
Authors:Kishor, C, Blanchard, H.
Deposit date:2017-10-09
Release date:2018-10-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lactulose as a novel template for anticancer drug development targeting galectins.
Chem.Biol.Drug Des., 92, 2018
3TB5
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BU of 3tb5 by Molmil
Crystal Structure of the Enterococcus faecalis Methionine aminopeptidase apo form
Descriptor: CITRIC ACID, Methionine aminopeptidase
Authors:Kishor, C, Gumpena, R, Reddi, R, Addlagatta, A.
Deposit date:2011-08-05
Release date:2012-08-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of Enterococcus faecalis methionine aminopeptidase and design of microbe specific 2,2'-bipyridine based inhibitors
MEDCHEMCOMM, 3, 2012
6B8K
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BU of 6b8k by Molmil
Crystal structure of Human galectin-3 CRD in complex with Lactulose
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-fructofuranose
Authors:Kishor, C, Blanchard, H.
Deposit date:2017-10-09
Release date:2018-10-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Lactulose as a novel template for anticancer drug development targeting galectins.
Chem.Biol.Drug Des., 92, 2018
6Q0Q
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BU of 6q0q by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-(1-{3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranosyl}-1,2,3-triazol-4-yl)-methyl-b-D-galactopyranoside
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
Authors:Kishor, C, Blanchard, H.
Deposit date:2019-08-02
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98601174 Å)
Cite:Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
6Q17
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BU of 6q17 by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
Authors:Kishor, C, Blanchard, H.
Deposit date:2019-08-02
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
4XQ6
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BU of 4xq6 by Molmil
CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENSE from MYCOBACTERIUM TUBERCULOSIS
Descriptor: CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
Authors:Kishor, C, Addlagatta, A.
Deposit date:2015-01-19
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Dihydroorotate Dehydrogenase form Mycobacterium Tuberculosis
To Be Published
7RDO
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BU of 7rdo by Molmil
Crystal structure of human galectin-3 CRD in complex with diselenodigalactoside
Descriptor: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name), CHLORIDE ION, Galectin-3, ...
Authors:Kishor, C, Go, R.M, Blanchard, H.
Deposit date:2021-07-10
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3.
Int J Mol Sci, 23, 2022
7RDP
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BU of 7rdp by Molmil
Crystal structure of human galectin-3 CRD in complex with selenodigalactoside
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside
Authors:Kishor, C, Go, R.M, Blanchard, H.
Deposit date:2021-07-10
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3.
Int J Mol Sci, 23, 2022
4WXK
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BU of 4wxk by Molmil
Crystal structure of a peptide deformylase from Haemophilus influenzae
Descriptor: GLYCEROL, NICKEL (II) ION, Peptide deformylase
Authors:Kishor, C, Addlagatta, A.
Deposit date:2014-11-14
Release date:2015-11-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a peptide deformylase from Haemophilus influenzae
To Be Published
4WXL
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Crystal structure of a peptide deformylase from Haemophilus influenzae complex with Actinonin
Descriptor: ACTINONIN, NICKEL (II) ION, Peptide deformylase
Authors:Kishor, C, Addlagatta, A.
Deposit date:2014-11-14
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of a peptide deformylase from Haemophilus influenzae complex with Actinonin
To Be Published
6W4Z
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BU of 6w4z by Molmil
Galectin-8N terminal domain in complex with Methyl 3-O-[3-O-benzyloxy]-malonyl-beta-D-galactopyranoside
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Galectin-8, ...
Authors:Patel, B, Kishor, C, Blanchard, H.
Deposit date:2020-03-12
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Rational Design and Synthesis of Methyl-beta-d-galactomalonyl Phenyl Esters as Potent Galectin-8 N Antagonists.
J.Med.Chem., 63, 2020
6WAB
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BU of 6wab by Molmil
Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative
Descriptor: 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol, GLYCEROL, Galectin-4
Authors:Go, R.M, Kishor, C, Blanchard, H.
Deposit date:2020-03-25
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative
To Be Published
3ROR
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BU of 3ror by Molmil
Crystal structure of C105S mutant of Mycobacterium tuberculosis methionine aminopeptidase
Descriptor: BETA-MERCAPTOETHANOL, COBALT (II) ION, Methionine aminopeptidase, ...
Authors:Reddi, R, Kishor, C, Addlagatta, A.
Deposit date:2011-04-26
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of C105S mutant of Mycobacterium tuberculosis methionine aminopeptidase
To be Published
3QJX
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BU of 3qjx by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Serine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R, Kishor, C, Ganji, R.J.
Deposit date:2011-01-31
Release date:2011-11-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of alpha, beta- and alpha, gamma-Diamino Acid Scaffolds for the Inhibition of M1 Family Aminopeptidases
Chemmedchem, 6, 2011
4XMX
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BU of 4xmx by Molmil
Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with Bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Aminopeptidase N, GLYCEROL, ...
Authors:Addlagatta, A, Gumpena, R, Kishor, C.
Deposit date:2015-01-15
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with Bestatin
To Be Published
4XN5
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BU of 4xn5 by Molmil
Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Phenylalanine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R, Kishor, C.
Deposit date:2015-01-15
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Phenylalanine
To Be Published
7RGX
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BU of 7rgx by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside
Authors:Bum-Erdene, K, Kishor, C, Blanchard, H.
Deposit date:2021-07-15
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGY
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BU of 7rgy by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-15
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.337 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH0
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BU of 7rh0 by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-trifluoromethyl-benzoyl)-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.487 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH1
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BU of 7rh1 by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGZ
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BU of 7rgz by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.485 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH3
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Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH4
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BU of 7rh4 by Molmil
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
4IKS
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BU of 4iks by Molmil
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with N1-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)-N2-(6-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Addlagatta, A, Kishor, C, Arya, T.
Deposit date:2012-12-28
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4IKU
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BU of 4iku by Molmil
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with 2-((5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)amino)-3-phenylpropanamide
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide, ...
Authors:Addlagatta, A, Kishor, C, Arya, T.
Deposit date:2012-12-28
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013

 

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