5T8E
 
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5THS
 | | Crystal Structure of G302A HDAC8 in complex with M344 | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
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1T29
 | | Crystal structure of the BRCA1 BRCT repeats bound to a phosphorylated BACH1 peptide | | Descriptor: | BACH1 phosphorylated peptide, Breast cancer type 1 susceptibility protein | | Authors: | Shiozaki, E.N, Gu, L, Yan, N, Shi, Y. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the BRCT repeats of BRCA1 bound to a BACH1 phosphopeptide: implications for signaling.
Mol.Cell, 14, 2004
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1JID
 | | Human SRP19 in complex with helix 6 of Human SRP RNA | | Descriptor: | HELIX 6 OF HUMAN SRP RNA, MAGNESIUM ION, SIGNAL RECOGNITION PARTICLE 19 KDA PROTEIN | | Authors: | Wild, K, Sinning, I, Cusack, S. | | Deposit date: | 2001-07-02 | | Release date: | 2001-10-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of an early protein-RNA assembly complex of the signal recognition particle.
Science, 294, 2001
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1T3Y
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1JD5
 | | Crystal Structure of DIAP1-BIR2/GRIM | | Descriptor: | APOPTOSIS 1 INHIBITOR, ZINC ION, cell death protein GRIM | | Authors: | Wu, J.W, Cocina, A.E, Chai, J, Hay, B.A, Shi, Y. | | Deposit date: | 2001-06-12 | | Release date: | 2001-12-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of a functional DIAP1 fragment bound to grim and hid peptides.
Mol.Cell, 8, 2001
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5THU
 | | Crystal Structure of G304A HDAC8 in complex with M344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
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1JLJ
 | | 1.6 Angstrom crystal structure of the human neuroreceptor anchoring and molybdenum cofactor biosynthesis protein gephyrin | | Descriptor: | FORMIC ACID, SODIUM ION, gephyrin | | Authors: | Schwarz, G, Schrader, N, Mendel, R.R, Hecht, H.-J, Schindelin, H. | | Deposit date: | 2001-07-16 | | Release date: | 2001-09-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of human gephyrin and plant Cnx1 G domains: comparative analysis and functional implications.
J.Mol.Biol., 312, 2001
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5HFU
 | | Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine | | Descriptor: | Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide | | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | | Deposit date: | 2016-01-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.923 Å) | | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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5TMO
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.172 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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1Q7S
 | | Crystal structure of bit1 | | Descriptor: | bit1 | | Authors: | De Pereda, J.M, Waas, W.F, Jan, Y, Ruoslahti, E, Schimmel, P, Pascual, J. | | Deposit date: | 2003-08-19 | | Release date: | 2003-12-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a human peptidyl-tRNA hydrolase reveals a new fold and suggests basis for a bifunctional activity.
J.Biol.Chem., 279, 2004
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5HI2
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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5TN8
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate | | Descriptor: | 3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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1QB0
 | | HUMAN CDC25B CATALYTIC DOMAIN | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (M-PHASE INDUCER PHOSPHATASE 2 (CDC25B)), ... | | Authors: | Watenpaugh, K.D, Reynolds, R.A. | | Deposit date: | 1999-04-29 | | Release date: | 2000-04-29 | | Last modified: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of the catalytic subunit of Cdc25B required for G2/M phase transition of the cell cycle.
J.Mol.Biol., 293, 1999
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1QBH
 | | SOLUTION STRUCTURE OF A BACULOVIRAL INHIBITOR OF APOPTOSIS (IAP) REPEAT | | Descriptor: | INHIBITOR OF APOPTOSIS PROTEIN (2MIHB/C-IAP-1), ZINC ION | | Authors: | Hinds, M.G, Norton, R.S, Vaux, D.L, Day, C.L. | | Deposit date: | 1999-04-20 | | Release date: | 1999-10-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a baculoviral inhibitor of apoptosis (IAP) repeat.
Nat.Struct.Biol., 6, 1999
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5JMM
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5TSO
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5UEV
 | | BRD4_BD2_A-556343 | | Descriptor: | 1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one, Bromodomain-containing protein 4 | | Authors: | Park, C.H. | | Deposit date: | 2017-01-03 | | Release date: | 2017-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Complex structure of BRD4_BD2_A-556343
To Be Published
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5UF0
 | | BRD4_BD2-A-35165 | | Descriptor: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4 | | Authors: | Park, C.H. | | Deposit date: | 2017-01-03 | | Release date: | 2017-06-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
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1Q8X
 | | NMR structure of human cofilin | | Descriptor: | Cofilin, non-muscle isoform | | Authors: | Pope, B.J, Zierler-Gould, K.M, Kuhne, R, Weeds, A.G, Ball, L.J. | | Deposit date: | 2003-08-22 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human cofilin: rationalizing actin binding and pH sensitivity
J.Biol.Chem., 279, 2004
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5JI0
 | | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid | | Descriptor: | (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... | | Authors: | Bloudoff, K, Larsen, N.A. | | Deposit date: | 2016-04-21 | | Release date: | 2017-04-26 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
To Be Published
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5JI6
 | | Potent, Reversible MetAP2 Inhibitors via FBDD | | Descriptor: | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole, MANGANESE (II) ION, Methionine aminopeptidase 2, ... | | Authors: | Dougan, D.R, Lawson, J.D. | | Deposit date: | 2016-04-21 | | Release date: | 2016-05-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Bioorg.Med.Chem.Lett., 26, 2016
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5JIE
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5JAX
 | | PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP | | Descriptor: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ... | | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | | Deposit date: | 2016-04-12 | | Release date: | 2017-04-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.486 Å) | | Cite: | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
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5UFP
 | | Crystal structure of PT2399 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | 3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2017-01-05 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | On-target efficacy of a HIF-2 alpha antagonist in preclinical kidney cancer models.
Nature, 539, 2016
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