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PDB: 150 results
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
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
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
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
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
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
4WYE
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BU of 4wye by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a DSF fragment hit
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETONE, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Dai, R, Finzel, B.C.
Deposit date:2014-11-17
Release date:2015-07-08
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4XTX
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BU of 4xtx by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH
Descriptor: 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
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 (2.30010319 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XM8
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BU of 4xm8 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: Lethal factor, N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4XTY
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BU of 4xty by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH
Descriptor: 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
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 (1.80002666 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XM6
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BU of 4xm6 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ...
Authors:Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4XTW
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BU of 4xtw by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH
Descriptor: 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
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 (2.30014467 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTZ
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BU of 4xtz by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH
Descriptor: 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
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 (1.90000677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU2
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BU of 4xu2 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose
Descriptor: 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
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 (1.8500284 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XM7
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BU of 4xm7 by Molmil
Anthrax toxin lethal factor with ligand-induced binding pocket
Descriptor: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-01-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced expansion of the S1' site in the anthrax toxin lethal factor.
Febs Lett., 589, 2015
4XU0
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BU of 4xu0 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has a 2'-methyl on the ribose
Descriptor: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine, Bifunctional ligase/repressor BirA
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 (1.60000169 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU3
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BU of 4xu3 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose
Descriptor: Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}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 (2.242677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015

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