Author results

6CQ1
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BCL6 BTB DOMAIN IN COMPLEX WITH 15A
Descriptor:B-cell lymphoma 6 protein, 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide
Authors:Linhares, B.M., Cheng, H., Xue, F., Cierpicki, T.
Deposit date:2018-03-14
Release date:2019-03-20
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.69921 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6C3L
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CRYSTAL STRUCTURE OF BCL6 BTB DOMAIN WITH COMPOUND 15F
Descriptor:B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Authors:Linhares, B., Cheng, H., Cierpicki, T., Xue, F.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.460922 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6C3N
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CRYSTAL STRUCTURE OF BCL6 BTB DOMAIN IN COMPLEX WITH COMPOUND 7CC5
Descriptor:B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
Authors:Linhares, B., Cheng, H., Xue, F., Cierpicki, T.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2.531706 Å)
Cite:Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
4UG5
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(2-(5-(2-(2-AMINO-6-METHYLPYRIDIN-4-YL)ETHYL)PYRIDIN-3-YL)ETHYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UG6
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-(PYRIDINE-3,5-DIYLDIETHANE-2,1-DIYL)BIS(4-METHYLPYRIDIN-2-AMINE)
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UG7
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 3,5-BIS(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UG8
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(5-((3R,4R)-4-((6-AZANYL-4-METHYL-PYRIDIN-2-YL)METHYL)PYRROLIDIN-3- YL)OXYPENTYL)-4-METHYL-PYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UG9
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-((4-(3-AMINOPROPYL)BENZENE-1,3-DIYL)DIETHANE-2,1-DIYL)BIS(4- METHYLPYRIDIN-2-AMINE)
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGA
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-((3-(((2-(3-FLUOROPHENYL)ETHYL)AMINO)METHYL)PHENOXY)METHYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGB
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(((5-(((2-(3-FLUOROPHENYL)ETHYL)AMINO)METHYL)PYRIDIN-3-YL)OXY) METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGC
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-(((2S)-3-AMINOPROPANE-1,2-DIYL)BIS(OXYMETHANEDIYL))BIS(4- METHYLPYRIDIN-2-AMINE)
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGD
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-((((2S)-1-AMINO-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHOXY)BUTAN-2-YL) OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGE
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 4-METHYL-6-((3-(PIPERIDIN-4-YLMETHOXY)PHENOXY)METHYL)PYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGF
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2-YL)METHOXY)METHYL) PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGG
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH (R)-6-(2-AMINO-2-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PHENYL) ETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.356 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGH
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PHENYL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGI
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N1-(6-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-2-YL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGJ
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO) ETHYL)AMINO)BENZONITRILE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGK
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(2-(5-(2-(DIMETHYLAMINO)ETHYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2- AMINE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGL
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1- CYCLOPROPYL-N2-METHYLETHANE-1,2-DIAMINE
Descriptor:NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGM
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N,N'-(ETHANE-1,2-DIYLDIBENZENE-3,1-DIYL)DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGN
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH (S)-N-(3-(((PYRROLIDIN-2-YLMETHYL)AMINO)METHYL)PHENYL)THIOPHENE-2- CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGO
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N-(4-(2-(ETHYL(3-(((E)-IMINO(THIOPHEN-2-YL)METHYL)AMINO)BENZYL)AMINO) ETHYL)PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGP
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N',N'-(((2R)-3-AMINOPROPANE-1,2-DIYL)BIS(OXYMETHANEDIYLBENZENE-3,1- DIYL))DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UGQ
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STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH N,N''-(((2S)-3-AMINOPROPANE-1,2-DIYL)BIS(OXYMETHANEDIYLBENZENE-3,1- DIYL))DITHIOPHENE-2-CARBOXIMIDAMIDE
Descriptor:NITRIC OXIDE SYNTHASE OXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Holden, J.K., Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015