6KI0
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![BU of 6ki0 by Molmil](/molmil-images/mine/6ki0) | Crystal Structure of Human ASC-CARD | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Xu, Z.H, Jin, T.C. | Deposit date: | 2019-07-16 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome. Cell Death Dis, 12, 2021
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6AKL
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![BU of 6akl by Molmil](/molmil-images/mine/6akl) | Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain | Descriptor: | Striatin-3, Suppressor of IKBKE 1 | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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6AKK
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![BU of 6akk by Molmil](/molmil-images/mine/6akk) | Crystal structure of the second Coiled-coil domain of SIKE1 | Descriptor: | GLYCEROL, Suppressor of IKBKE 1 | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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4L1B
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![BU of 4l1b by Molmil](/molmil-images/mine/4l1b) | Crystal Structure of p110alpha complexed with niSH2 of p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | Deposit date: | 2013-06-03 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.586 Å) | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med Chem Lett, 5, 2014
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6AKM
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![BU of 6akm by Molmil](/molmil-images/mine/6akm) | Crystal structure of SLMAP-SIKE1 complex | Descriptor: | GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1 | Authors: | Ma, J, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
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4L2Y
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![BU of 4l2y by Molmil](/molmil-images/mine/4l2y) | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d | Descriptor: | 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | Deposit date: | 2013-06-05 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med Chem Lett, 5, 2014
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7KDT
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![BU of 7kdt by Molmil](/molmil-images/mine/7kdt) | |
4L23
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![BU of 4l23 by Molmil](/molmil-images/mine/4l23) | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103 | Descriptor: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | Deposit date: | 2013-06-04 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med Chem Lett, 5, 2014
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4RZF
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![BU of 4rzf by Molmil](/molmil-images/mine/4rzf) | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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4RZG
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![BU of 4rzg by Molmil](/molmil-images/mine/4rzg) | Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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4JIH
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![BU of 4jih by Molmil](/molmil-images/mine/4jih) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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4JIR
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![BU of 4jir by Molmil](/molmil-images/mine/4jir) | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111). Febs Lett., 587, 2013
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4I5X
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![BU of 4i5x by Molmil](/molmil-images/mine/4i5x) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | Deposit date: | 2012-11-29 | Release date: | 2013-10-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111) Febs Lett., 587, 2013
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5GO3
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![BU of 5go3 by Molmil](/molmil-images/mine/5go3) | Crystal structure of a di-nucleotide cyclase Vibrio mutant | Descriptor: | Cyclic GMP-AMP synthase | Authors: | Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a di-nucleotide cyclase Vibrio mutant To Be Published
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5H3R
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![BU of 5h3r by Molmil](/molmil-images/mine/5h3r) | Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR | Authors: | Zhu, R, Lou, H, Hao, Z. | Deposit date: | 2016-10-26 | Release date: | 2017-08-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator. J. Biol. Inorg. Chem., 22, 2017
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4GOJ
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![BU of 4goj by Molmil](/molmil-images/mine/4goj) | The Crystal Structure of full length Arl3GppNHp in complex with UNC119a | Descriptor: | ADP-ribosylation factor-like protein 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A. | Deposit date: | 2012-08-20 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119. Embo J., 31, 2012
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4GOK
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![BU of 4gok by Molmil](/molmil-images/mine/4gok) | The Crystal structure of Arl2GppNHp in complex with UNC119a | Descriptor: | ADP-ribosylation factor-like protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A. | Deposit date: | 2012-08-20 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119. Embo J., 31, 2012
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4C13
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![BU of 4c13 by Molmil](/molmil-images/mine/4c13) | x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | Deposit date: | 2013-08-09 | Release date: | 2013-10-02 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy. Nat.Chem.Biol., 2021
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5I3V
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![BU of 5i3v by Molmil](/molmil-images/mine/5i3v) | Crystal structure of BACE1 in complex with aminoquinoline compound 1 | Descriptor: | (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2016-02-11 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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2MLK
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![BU of 2mlk by Molmil](/molmil-images/mine/2mlk) | Three-dimensional structure of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae | Descriptor: | RstA | Authors: | Fang, P, Chen, S, Cheng, Y, Chang, C, Yu, T, Huang, T. | Deposit date: | 2014-03-02 | Release date: | 2014-07-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural dynamics of the two-component response regulator RstA in recognition of promoter DNA element. Nucleic Acids Res., 42, 2014
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3B54
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![BU of 3b54 by Molmil](/molmil-images/mine/3b54) | |
1FOC
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![BU of 1foc by Molmil](/molmil-images/mine/1foc) | Cytochrome C557: improperly folded thermus thermophilus C552 | Descriptor: | CYTOCHROME RC557, HEME C | Authors: | McRee, D.E, Williams, P.A, Fee, J.A, Bren, K.L. | Deposit date: | 2000-08-27 | Release date: | 2000-11-08 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recombinant cytochrome rC557 obtained from Escherichia coli cells expressing a truncated Thermus thermophilus cycA gene. Heme inversion in an improperly matured protein J.Biol.Chem., 276, 2001
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4MQ2
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![BU of 4mq2 by Molmil](/molmil-images/mine/4mq2) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | Deposit date: | 2013-09-15 | Release date: | 2013-12-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5I3X
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![BU of 5i3x by Molmil](/molmil-images/mine/5i3x) | Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6 | Descriptor: | Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2016-02-11 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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5GPK
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![BU of 5gpk by Molmil](/molmil-images/mine/5gpk) | Crystal structure of Ccp1 mutant | Descriptor: | Putative nucleosome assembly protein C36B7.08c | Authors: | Yin, F, Gao, F, Chen, Y. | Deposit date: | 2016-08-03 | Release date: | 2016-11-30 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading Mol.Cell, 64, 2016
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