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PDB: 33 件

6Q0Q
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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
分子名称: (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
著者Kishor, C, Blanchard, H.
登録日2019-08-02
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98601174 Å)
主引用文献Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
6Q17
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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
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
著者Kishor, C, Blanchard, H.
登録日2019-08-02
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
6B94
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Crystal structure of Human galectin-1 in complex with Lactulose
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Galectin-1, ...
著者Kishor, C, Blanchard, H.
登録日2017-10-09
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lactulose as a novel template for anticancer drug development targeting galectins.
Chem.Biol.Drug Des., 92, 2018
6B8K
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Crystal structure of Human galectin-3 CRD in complex with Lactulose
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-fructofuranose
著者Kishor, C, Blanchard, H.
登録日2017-10-09
公開日2018-10-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献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
分子名称: CITRIC ACID, Methionine aminopeptidase
著者Kishor, C, Gumpena, R, Reddi, R, Addlagatta, A.
登録日2011-08-05
公開日2012-08-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural studies of Enterococcus faecalis methionine aminopeptidase and design of microbe specific 2,2'-bipyridine based inhibitors
MEDCHEMCOMM, 3, 2012
4XQ6
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CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENSE from MYCOBACTERIUM TUBERCULOSIS
分子名称: CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
著者Kishor, C, Addlagatta, A.
登録日2015-01-19
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Dihydroorotate Dehydrogenase form Mycobacterium Tuberculosis
To Be Published
4WXK
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Crystal structure of a peptide deformylase from Haemophilus influenzae
分子名称: GLYCEROL, NICKEL (II) ION, Peptide deformylase
著者Kishor, C, Addlagatta, A.
登録日2014-11-14
公開日2015-11-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
分子名称: ACTINONIN, NICKEL (II) ION, Peptide deformylase
著者Kishor, C, Addlagatta, A.
登録日2014-11-14
公開日2015-11-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of a peptide deformylase from Haemophilus influenzae complex with Actinonin
To Be Published
7RDO
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BU of 7rdo by Molmil
Crystal structure of human galectin-3 CRD in complex with diselenodigalactoside
分子名称: (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, ...
著者Kishor, C, Go, R.M, Blanchard, H.
登録日2021-07-10
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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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Crystal structure of human galectin-3 CRD in complex with selenodigalactoside
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside
著者Kishor, C, Go, R.M, Blanchard, H.
登録日2021-07-10
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3.
Int J Mol Sci, 23, 2022
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
分子名称: 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
著者Go, R.M, Kishor, C, Blanchard, H.
登録日2020-03-25
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative
To Be Published
6W4Z
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Galectin-8N terminal domain in complex with Methyl 3-O-[3-O-benzyloxy]-malonyl-beta-D-galactopyranoside
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Galectin-8, ...
著者Patel, B, Kishor, C, Blanchard, H.
登録日2020-03-12
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Rational Design and Synthesis of Methyl-beta-d-galactomalonyl Phenyl Esters as Potent Galectin-8 N Antagonists.
J.Med.Chem., 63, 2020
3ROR
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BU of 3ror by Molmil
Crystal structure of C105S mutant of Mycobacterium tuberculosis methionine aminopeptidase
分子名称: BETA-MERCAPTOETHANOL, COBALT (II) ION, Methionine aminopeptidase, ...
著者Reddi, R, Kishor, C, Addlagatta, A.
登録日2011-04-26
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
著者Addlagatta, A, Gumpena, R, Kishor, C, Ganji, R.J.
登録日2011-01-31
公開日2011-11-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Aminopeptidase N, GLYCEROL, ...
著者Addlagatta, A, Gumpena, R, Kishor, C.
登録日2015-01-15
公開日2016-02-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
著者Addlagatta, A, Gumpena, R, Kishor, C.
登録日2015-01-15
公開日2016-02-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Phenylalanine
To Be Published
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
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide, ...
著者Addlagatta, A, Kishor, C, Arya, T.
登録日2012-12-28
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4IKR
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BU of 4ikr by Molmil
Crystal structure of Type 1 human methionine aminopeptidase in complex with 2-(4-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)piperazin-1-yl)ethanol
分子名称: 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol, COBALT (II) ION, GLYCEROL, ...
著者Addlagatta, A, Kishor, C, Arya, T.
登録日2012-12-28
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
7RGX
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside
著者Bum-Erdene, K, Kishor, C, Blanchard, H.
登録日2021-07-15
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGY
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-15
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.337 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.487 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH1
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGZ
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH4
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Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022

 

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