4KC3
 
 | | Cytokine/receptor binary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor-like 1, Interleukin-33 | | Authors: | Liu, X, Wang, X.Q. | | Deposit date: | 2013-04-24 | | Release date: | 2013-08-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.2702 Å) | | Cite: | Structural insights into the interaction of IL-33 with its receptors.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3SIE
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | | Deposit date: | 2011-06-17 | | Release date: | 2011-08-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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4I5S
 | | Structure and function of sensor histidine kinase | | Descriptor: | Putative histidine kinase CovS; VicK-like protein | | Authors: | Cai, Y. | | Deposit date: | 2012-11-28 | | Release date: | 2013-03-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Mechanistic insights revealed by the crystal structure of a histidine kinase with signal transducer and sensor domains
Plos Biol., 11, 2013
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2HH4
 | | NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures | | Descriptor: | insulin A chain, insulin B chain | | Authors: | Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A. | | Deposit date: | 2006-06-27 | | Release date: | 2006-07-18 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
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2HHO
 | | NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A. | | Deposit date: | 2006-06-28 | | Release date: | 2006-07-18 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
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8ILE
 | | The crystal structure of dGTPalphaSe-Rp:DNApre-II:Pol X substrate ternary complex | | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | | Authors: | Qin, T, Gan, J.H, Huang, Z. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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8ILG
 | | The crystal structure of dG-DNA:Pol X product binary complex | | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*G)-3'), FORMIC ACID, MANGANESE (II) ION, ... | | Authors: | Qin, T, Gan, J.H, Huang, Z. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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6MDZ
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2JK7
 | | XIAP BIR3 bound to a Smac Mimetic | | Descriptor: | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE, BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, ZINC ION | | Authors: | Saito, N.G, Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2008-08-21 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (Xiap).
J.Med.Chem., 51, 2008
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8ILF
 | | The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex | | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | | Authors: | Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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7E57
 | | Crystal structure of murine GITR-GITRL complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18, ... | | Authors: | Zhao, M, Tan, S, Fu, L, Chai, Y, Qi, J, Gao, G.F. | | Deposit date: | 2021-02-18 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.302 Å) | | Cite: | Atypical TNF-TNFR superfamily binding interface in the GITR-GITRL complex for T cell activation.
Cell Rep, 36, 2021
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6MFR
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6MFN
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8CZH
 | | Human BAK in complex with the dM2 peptide | | Descriptor: | Bcl-2 homologous antagonist/killer, DM2 peptide | | Authors: | Aguilar, F, Keating, A.E. | | Deposit date: | 2022-05-24 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
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8CZF
 | | Human BAK in complex with the dF2 peptide | | Descriptor: | Bcl-2 homologous antagonist/killer, DF2 peptide | | Authors: | Aguilar, F, Keating, A.E. | | Deposit date: | 2022-05-24 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
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8CZG
 | | Human BAK in complex with the dF3 peptide | | Descriptor: | Bcl-2 homologous antagonist/killer, dF3 peptide | | Authors: | Aguilar, F, Keating, A.E. | | Deposit date: | 2022-05-24 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
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6NIT
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8DVN
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
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8DVL
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.18 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
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8DVM
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
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2XAB
 | | Structure of HSP90 with an inhibitor bound | | Descriptor: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-03-30 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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6VKL
 | | Negative stain reconstruction of the yeast exocyst octameric complex. | | Descriptor: | Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ... | | Authors: | Frost, A, Munson, M. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (15 Å) | | Cite: | Exocyst structural changes associated with activation of tethering downstream of Rho/Cdc42 GTPases.
J. Cell Biol., 219, 2020
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2XJJ
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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3QQU
 | | Cocrystal structure of unphosphorylated igf with pyrimidine 8 | | Descriptor: | Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | | Authors: | Huang, X. | | Deposit date: | 2011-02-16 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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4RIK
 | | Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77 | | Descriptor: | Alpha-synuclein | | Authors: | Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S. | | Deposit date: | 2014-10-06 | | Release date: | 2015-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.854 Å) | | Cite: | Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
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