1A9U
 
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580 | | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAP KINASE P38 | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-04-10 | | Release date: | 1999-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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1BL6
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB216995 | | Descriptor: | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE, PROTEIN (MAP KINASE P38) | | Authors: | Wang, Z, Canagarajah, B.J, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-11 | | Release date: | 1999-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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1BL7
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB220025 | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, PROTEIN (MAP KINASE P38) | | Authors: | Wang, Z, Canagarajah, B.J, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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1BMK
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655 | | Descriptor: | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE, PROTEIN (MAP KINASE P38) | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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4BZ1
 | | Structure of dengue virus EDIII in complex with Fab 3e31 | | Descriptor: | CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ... | | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 3E31
To be Published
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4BZ2
 | | Structure of dengue virus EDIII in complex with Fab 2D73 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ... | | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
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3ERK
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/SB220025 | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, EXTRACELLULAR REGULATED KINASE 2 | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-09 | | Release date: | 1999-07-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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1HIB
 | | THE STRUCTURE OF AN INTERLEUKIN-1 BETA MUTANT WITH REDUCED BIOACTIVITY SHOWS MULTIPLE SUBTLE CHANGES IN CONFORMATION THAT AFFECT PROTEIN-PROTEIN RECOGNITION | | Descriptor: | INTERLEUKIN-1 BETA | | Authors: | Camacho, N.P, Smith, D.R, Goldman, A, Schneider, B, Green, D, Young, P.R, Berman, H.M. | | Deposit date: | 1993-03-29 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of an interleukin-1 beta mutant with reduced bioactivity shows multiple subtle changes in conformation that affect protein-protein recognition.
Biochemistry, 32, 1993
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4ERK
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/OLOMOUCINE | | Descriptor: | EXTRACELLULAR REGULATED KINASE 2, OLOMOUCINE, SULFATE ION | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-09 | | Release date: | 1999-07-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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7BSD
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7BSC
 | | Complex structure of 1G5.3 Fab bound to DENV2 NS1c | | Descriptor: | 1G5.3 Fab Heavy Chain, 1G5.3 Fab Light Chain, Non-structural protein 1 | | Authors: | Song, H, Qi, J, Gao, F.G. | | Deposit date: | 2020-03-30 | | Release date: | 2020-12-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A broadly protective antibody that targets the flavivirus NS1 protein.
Science, 371, 2021
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5DW1
 | | X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution | | Descriptor: | 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, SODIUM ION | | Authors: | White, A, Fontano, E, Suto, R.K. | | Deposit date: | 2015-09-22 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Biochem.Biophys.Res.Commun., 477, 2016
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6CZV
 | | BRD4(BD1) complexed with 2759 | | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
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6CZU
 | | BRD4(BD1) complexed with 3219 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, Bromodomain-containing protein 4, ... | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
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5DW2
 | | X-ray crystal structure of human BRD4(BD1) in complex with RVX297 to 1.12 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | | Authors: | White, A, Fontano, E, Suto, R.K. | | Deposit date: | 2015-09-22 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Biochem.Biophys.Res.Commun., 477, 2016
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3E90
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4YH3
 | | Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a) | | Descriptor: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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4YH4
 | | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | | Descriptor: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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4J3I
 | | X-ray crystal structure of bromodomain complex to 1.24 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4, ... | | Authors: | Stein, A.J, White, A, Suto, R.K. | | Deposit date: | 2013-02-05 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
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4J1P
 | | X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain containing 2, ... | | Authors: | Stein, A.J, White, A, Suto, R.K. | | Deposit date: | 2013-02-01 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
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7KVB
 | | Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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7KV9
 | | Chimeric flavivirus between Binjari virus and West Nile (Kunjin) virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Matrix protein M, envelope protein E | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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7KV8
 | | Chimeric flavivirus between Binjari virus and Dengue virus serotype-2 | | Descriptor: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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7KVA
 | | Structure of West Nile virus (Kunjin) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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1IAN
 | | HUMAN P38 MAP KINASE INHIBITOR COMPLEX | | Descriptor: | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE, P38 MAP KINASE | | Authors: | Tong, L. | | Deposit date: | 1997-03-07 | | Release date: | 1998-05-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A highly specific inhibitor of human p38 MAP kinase binds in the ATP pocket.
Nat.Struct.Biol., 4, 1997
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