7L99
| Crystal structure of BRDT bromodomain 2 in complex with CDD-1302 | Descriptor: | Bromodomain testis-specific protein, N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | Authors: | Sharma, R, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M. | Deposit date: | 2021-01-03 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and characterization of bromodomain 2-specific inhibitors of BRDT. Proc.Natl.Acad.Sci.USA, 118, 2021
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1L3K
| UP1, THE TWO RNA-RECOGNITION MOTIF DOMAIN OF HNRNP A1 | Descriptor: | HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN A1 | Authors: | Vitali, J, Ding, J, Jiang, J, Zhang, Y, Krainer, A.R, Xu, R.-M. | Deposit date: | 2002-02-27 | Release date: | 2002-04-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Correlated alternative side chain conformations in the RNA-recognition motif of heterogeneous nuclear ribonucleoprotein A1. Nucleic Acids Res., 30, 2002
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4NNR
| FKBP13-FK506 Complex | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP2 | Authors: | Schultz, L.W, Martin, P.K, Liang, J, Schreiber, S.L, Clardy, J. | Deposit date: | 2013-11-18 | Release date: | 2014-02-05 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Atomic structure of the Immunophilin FKBP13-FK506 Complex: Insights into the Composite Binding Surface for Calcineurin J.Am.Chem.Soc., 116, 1994
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2FG5
| Crystal structure of human RAB31 in complex with a GTP analogue | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-31 | Authors: | Tempel, W, Wang, J, Ismail, S, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2005-12-21 | Release date: | 2006-01-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Crystal structure of human RAB31 in complex with a GTP analogue To be Published
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2GJ5
| Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Beta-lactoglobulin | Authors: | Yang, M.C, Guan, H.H, Liu, M.Y, Yang, J.M, Chen, W.L, Chen, C.J, Mao, S.J. | Deposit date: | 2006-03-30 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin. Proteins, 71, 2008
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4NPP
| The GLIC-His10 wild-type structure in equilibrium between the open and locally-closed (LC) forms | Descriptor: | NICKEL (II) ION, Proton-gated ion channel | Authors: | Sauguet, L, Shahsavar, A, Poitevin, F, Huon, C, Menny, A, Nemecz, A, Haouz, A, Changeux, J.P, Corringer, P.J, Delarue, M. | Deposit date: | 2013-11-22 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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1YWN
| Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | Descriptor: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | Authors: | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | Deposit date: | 2005-02-18 | Release date: | 2005-08-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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2LBM
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1M60
| Solution Structure of Zinc-substituted cytochrome c | Descriptor: | ZINC SUBSTITUTED HEME C, Zinc-substituted cytochrome c | Authors: | Qian, C, Yao, Y, Tong, Y, Wang, J, Tang, W. | Deposit date: | 2002-07-11 | Release date: | 2002-08-07 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structural analysis of zinc-substituted cytochrome c. J.Biol.Inorg.Chem., 8, 2003
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2H60
| Solution Structure of Human Brg1 Bromodomain | Descriptor: | Probable global transcription activator SNF2L4 | Authors: | Shen, W, Xu, C, Zhang, J, Wu, J, Shi, Y. | Deposit date: | 2006-05-30 | Release date: | 2007-02-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of human Brg1 bromodomain and its specific binding to acetylated histone tails Biochemistry, 46, 2007
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5V9T
| Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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4NPQ
| The resting-state conformation of the GLIC ligand-gated ion channel | Descriptor: | Proton-gated ion channel | Authors: | Sauguet, L, Shahsavar, A, Poitevin, F, Huon, C, Menny, A, Nemecz, A, Haouz, A, Changeux, J.P, Corringer, P.J, Delarue, M. | Deposit date: | 2013-11-22 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.35 Å) | Cite: | Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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5VIO
| Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | Descriptor: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Jasti, J, Chang, J, Kurumbail, R. | Deposit date: | 2017-04-17 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145, 2017
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2F3W
| solution structure of 1-110 fragment of staphylococcal nuclease in 2M TMAO | Descriptor: | Thermonuclease | Authors: | Liu, D, Xie, T, Feng, Y, Shan, L, Ye, K, Wang, J. | Deposit date: | 2005-11-22 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease Biophys.J., 92, 2007
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1UT9
| Structural Basis for the Exocellulase Activity of the Cellobiohydrolase CbhA from C. thermocellum | Descriptor: | CELLULOSE 1,4-BETA-CELLOBIOSIDASE | Authors: | Schubot, F.D, Kataeva, I.A, Chang, J, Shah, A.K, Ljungdahl, L.G, Rose, J.P, Wang, B.C. | Deposit date: | 2003-12-04 | Release date: | 2004-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the exocellulase activity of the cellobiohydrolase CbhA from Clostridium thermocellum. Biochemistry, 43, 2004
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4F1S
| Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
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2L31
| Human PARP-1 zinc finger 2 | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | Deposit date: | 2010-08-30 | Release date: | 2011-02-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger. J.Mol.Biol., 407, 2011
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2L30
| Human PARP-1 zinc finger 1 | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | Deposit date: | 2010-08-30 | Release date: | 2011-02-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger. J.Mol.Biol., 407, 2011
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2L89
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3PE4
| Structure of human O-GlcNAc transferase and its complex with a peptide substrate | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | Authors: | Lazarus, M.B, Nam, Y, Jiang, J, Sliz, P, Walker, S. | Deposit date: | 2010-10-25 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of human O-GlcNAc transferase and its complex with a peptide substrate. Nature, 469, 2011
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3QAQ
| Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 1 | Descriptor: | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-01-11 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of triazine-benzimidazoles as selective inhibitors of mTOR. Bioorg.Med.Chem.Lett., 21, 2011
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3PE3
| Structure of human O-GlcNAc transferase and its complex with a peptide substrate | Descriptor: | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | Authors: | Lazarus, M.B, Nam, Y, Jiang, J, Sliz, P, Walker, S. | Deposit date: | 2010-10-25 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structure of human O-GlcNAc transferase and its complex with a peptide substrate. Nature, 469, 2011
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3ETA
| Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | Descriptor: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | Authors: | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | Deposit date: | 2008-10-07 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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2F3V
| Solution structure of 1-110 fragment of staphylococcal nuclease with V66W mutation | Descriptor: | Thermonuclease | Authors: | Liu, D, Xie, T, Feng, Y, Shan, L, Ye, K, Wang, J. | Deposit date: | 2005-11-22 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease Biophys.J., 92, 2007
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2K0A
| 1H, 15N and 13C chemical shift assignments for Rds3 protein | Descriptor: | Pre-mRNA-splicing factor RDS3, ZINC ION | Authors: | Loening, N, van Roon, A, Yang, J, Nagai, K, Neuhaus, D. | Deposit date: | 2008-01-31 | Release date: | 2008-07-22 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the U2 snRNP protein Rds3p reveals a knotted zinc-finger motif. Proc.Natl.Acad.Sci.Usa, 105, 2008
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