4PP7
 
 | | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | | Deposit date: | 2014-02-26 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 24, 2014
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3H7H
 | | Crystal structure of the human transcription elongation factor DSIF, hSpt4/hSpt5 (176-273) | | Descriptor: | BETA-MERCAPTOETHANOL, Transcription elongation factor SPT4, Transcription elongation factor SPT5, ... | | Authors: | Wenzel, S, Wohrl, B.M, Rosch, P, Martins, B.M. | | Deposit date: | 2009-04-27 | | Release date: | 2009-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of the human transcription elongation factor DSIF hSpt4 subunit in complex with the hSpt5 dimerization interface
Biochem.J., 425, 2010
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6Q3Q
 | | Arabidopsis OM64 TPR domain | | Descriptor: | GLY-SER-LYS-MET-GLU-GLU-VAL-ASP, GLYCEROL, Outer envelope protein 64, ... | | Authors: | Schwenkert, S. | | Deposit date: | 2018-12-04 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Phosphorylation of the outer membrane mitochondrial protein OM64 influences protein import into mitochondria.
Mitochondrion, 44, 2019
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6HPG
 | | Arabidopsis OM64 TPR domain | | Descriptor: | Heat shock protein 90-4, Outer envelope protein 64, mitochondrial | | Authors: | Schwenkert, S. | | Deposit date: | 2018-09-20 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Phosphorylation of the outer membrane mitochondrial protein OM64 influences protein import into mitochondria.
Mitochondrion, 44, 2019
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3ISJ
 | | Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide | | Descriptor: | 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide, ETHANOL, GLYCEROL, ... | | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-26 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IMG
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution in a ternary complex with fragment compounds 5-methoxyindole and 1-benzofuran-2-carboxylic acid | | Descriptor: | 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ETHANOL, ... | | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-10 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IUB
 | | Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-Methoxy-N-(5-methylpyridin-2-ylsulfonyl)-1H-indole-2-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide, ETHANOL, ... | | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-31 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IUE
 | | Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid | | Descriptor: | (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ... | | Authors: | Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-31 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IVC
 | | Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid | | Descriptor: | ETHANOL, GLYCEROL, Pantothenate synthetase, ... | | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-31 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IMC
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol | | Descriptor: | 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ... | | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-10 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IVX
 | | Crystal structure of pantothenate synthetase in complex with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ... | | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-09-02 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IME
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid | | Descriptor: | 1-benzofuran-2-carboxylic acid, ETHANOL, GLYCEROL, ... | | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-10 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3IVG
 | | Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-sulfonamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid | | Descriptor: | (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ... | | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-09-01 | | Release date: | 2009-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
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6FN3
 | | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cryptochrome photoreceptor, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Yamamoto, J, Mittag, M, Essen, L.-O. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii.
Nucleic Acids Res., 46, 2018
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6FN0
 | | The animal-like Cryptochrome from Chlamydomonas reinhardtii in complex with 6-4 DNA | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cryptochrome photoreceptor, ... | | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Yamamoto, J, Mittag, M, Essen, L.-O. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii.
Nucleic Acids Res., 46, 2018
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5ZM0
 | | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cryptochrome photoreceptor, ... | | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Gusti Ngurah Putu, E.P, Maestre-Reyna, M, Tsai, M.-D, Yamamoto, J, Mittag, M, Essen, L.-O. | | Deposit date: | 2018-03-31 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii
Nucleic Acids Res., 46, 2018
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6FN2
 | | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | | Descriptor: | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE, CHLORIDE ION, Cryptochrome photoreceptor, ... | | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Yamamoto, J, Mittag, M, Essen, L.-O. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii.
Nucleic Acids Res., 46, 2018
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2XGE
 | | Crystal structure of a designed heterodimeric variant T-A(A)B of the tetracycline repressor | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A. | | Deposit date: | 2010-06-03 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer.
J.Mol.Biol., 403, 2010
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2XGC
 | | Crystal structure of a designed heterodimeric variant T-A(I)B of the tetracycline repressor | | Descriptor: | TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | | Authors: | Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A. | | Deposit date: | 2010-06-03 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer.
J.Mol.Biol., 403, 2010
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2XGD
 | | Crystal structure of a designed homodimeric variant T-A(L)A(L) of the tetracycline repressor | | Descriptor: | CHLORIDE ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | | Authors: | Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A. | | Deposit date: | 2010-06-03 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer.
J.Mol.Biol., 403, 2010
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6GQ3
 | | Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ... | | Authors: | Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J. | | Deposit date: | 2018-06-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity.
Commun Biol, 2, 2019
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2JX2
 | | Solution conformation of RNA-bound NELF-E RRM | | Descriptor: | Negative elongation factor E | | Authors: | Jampani, N, Schweimer, K, Wenzel, S, Woehrl, B.M, Roesch, P. | | Deposit date: | 2007-11-02 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NELF-E RRM Undergoes Major Structural Changes in Flexible Protein Regions on Target RNA Binding
Biochemistry, 47, 2008
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3TV6
 | | Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor | | Descriptor: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L, Wu, W.-I. | | Deposit date: | 2011-09-19 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
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3TV4
 | | Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor | | Descriptor: | N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Selby, L.T, Wu, W.-I. | | Deposit date: | 2011-09-19 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
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3SKC
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