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4XTV
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BU of 4xtv by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)
Descriptor: Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45000839 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU1
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BU of 4xu1 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
Descriptor: 1,2-ETHANEDIOL, Bifunctional ligase/repressor BirA, DIMETHYL SULFOXIDE, ...
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.70001328 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
5BZH
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BU of 5bzh by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine, CD44 antigen, DIMETHYL SULFOXIDE
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZP
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BU of 5bzp by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZC
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BU of 5bzc by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline, CD44 antigen, DIMETHYL SULFOXIDE
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZI
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BU of 5bzi by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZO
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BU of 5bzo by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZG
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BU of 5bzg by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZL
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BU of 5bzl by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: CD44 antigen, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZQ
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BU of 5bzq by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZS
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BU of 5bzs by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZJ
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BU of 5bzj by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZN
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BU of 5bzn by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZF
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BU of 5bzf by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine, CD44 antigen
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZK
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BU of 5bzk by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: CD44 antigen, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZR
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BU of 5bzr by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZE
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BU of 5bze by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: CD44 antigen, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZM
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BU of 5bzm by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5BZT
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BU of 5bzt by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.C.
Deposit date:2015-06-11
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
To Be Published
5D1T
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BU of 5d1t by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
5D1S
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BU of 5d1s by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
5D1U
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BU of 5d1u by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8503 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
5EMT
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BU of 5emt by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1)-copper complex
Descriptor: COPPER (II) ION, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Nix, J.C, Finzel, B.C.
Deposit date:2015-11-06
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition by divalent metal ions of human histidine triad nucleotide binding protein1 (hHint1), a regulator of opioid analgesia and neuropathic pain.
Biochem. Biophys. Res. Commun., 491, 2017
3BGL
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BU of 3bgl by Molmil
Hepatoselectivity of Statins: Design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors
Descriptor: (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Finzel, B.C, Pavlovsky, A, Park, W.K.C.
Deposit date:2007-11-26
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.225 Å)
Cite:Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4XJL
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BU of 4xjl by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University Of Minnesota, 2015

220113

건을2024-05-22부터공개중

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