8K3U
| S. cerevisiae Chs1 in complex with UDP and GlcNAc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase 1, ... | Authors: | Bai, L, Chen, D. | Deposit date: | 2023-07-17 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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8K3R
| S. cerevisiae Chs1 in apo state incubated with GlcNAc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | Authors: | Bai, L, Chen, D. | Deposit date: | 2023-07-16 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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8K3X
| S. cerevisiae Chs1 in complex with Nikkomycin Z | Descriptor: | (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), Chitin synthase 1 | Authors: | Bai, L, Chen, D. | Deposit date: | 2023-07-17 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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8K3W
| S. cerevisiae Chs1 in complex with UDP-GlcNAc and GlcNAc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | Authors: | Bai, L, Chen, D. | Deposit date: | 2023-07-17 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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8K3Q
| S. cerevisiae Chs1 in apo state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | Authors: | Bai, L, Chen, D. | Deposit date: | 2023-07-16 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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8K3V
| S. cerevisiae Chs1 in complex with UDP-GlcNAc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | Authors: | Bai, L, Chen, D. | Deposit date: | 2023-07-17 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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8K3T
| S. cerevisiae Chs1 in complex with UDP | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | Authors: | Bai, L, Chen, D. | Deposit date: | 2023-07-17 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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8K3P
| S. cerevisiae Chs1 in complex with polyoxin B | Descriptor: | (2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | Authors: | Bai, L, Chen, D.D. | Deposit date: | 2023-07-16 | Release date: | 2023-10-18 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase Nat Commun, 14, 2023
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3IKA
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4WPZ
| Crystal structure of cytochrome P450 CYP107W1 from Streptomyces avermitilis | Descriptor: | Cytochrome P450, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kang, L.W, Kim, D.H, Pham, T.V, Han, S.H. | Deposit date: | 2014-10-21 | Release date: | 2015-04-22 | Last modified: | 2015-04-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Functional characterization of CYP107W1 from Streptomyces avermitilis and biosynthesis of macrolide oligomycin A. Arch.Biochem.Biophys., 575, 2015
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4WQ0
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7YAZ
| Crystal structure of ZAK in complex with compound YH-186 | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2022-06-28 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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7YAW
| Crystal structure of ZAK in complex with compound YH-180 | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2022-06-28 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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6IEG
| Crystal structure of human MTR4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | Authors: | Chen, J.Y, Yun, C.H. | Deposit date: | 2018-09-14 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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5YZ3
| Crystal structure of T2R-TTL-28 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-12-12 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors. Cancer Res., 78, 2018
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6IEH
| Crystal structures of the hMTR4-NRDE2 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ... | Authors: | Chen, J.Y, Yun, C.H. | Deposit date: | 2018-09-14 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.892 Å) | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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6P1L
| Crystal structure of EGFR in complex with EAI045 | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-20 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6P1D
| Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | Descriptor: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-05-19 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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5D41
| EGFR kinase domain in complex with mutant selective allosteric inhibitor | Descriptor: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Yun, C.-H, Park, E, Eck, M.J. | Deposit date: | 2015-08-07 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors. Nature, 534, 2016
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5GMP
| Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 | Descriptor: | Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2016-07-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties. Eur J Med Chem, 126, 2017
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4FXB
| Crystal structure of CYP105N1 from Streptomyces coelicolor: a cytochrome P450 oxidase in the coelibactin siderophore biosynthetic pathway | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | Authors: | Hong, M.K, Lim, Y.R, Kim, J.K, Kim, D.H, Kang, L.W. | Deposit date: | 2012-07-03 | Release date: | 2012-11-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of cytochrome P450 CYP105N1 from Streptomyces coelicolor, an oxidase in the coelibactin siderophore biosynthetic pathway Arch.Biochem.Biophys., 528, 2012
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4R6V
| Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations | Descriptor: | Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION | Authors: | Huang, Z, Mohammadi, M. | Deposit date: | 2014-08-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.353 Å) | Cite: | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc.Natl.Acad.Sci.USA, 111, 2014
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4IM3
| Structure of Tank-Binding Kinase 1 | Descriptor: | CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ... | Authors: | Tu, D, Eck, M.J. | Deposit date: | 2013-01-01 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.342 Å) | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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4IM2
| Structure of Tank-Binding Kinase 1 | Descriptor: | CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Tu, D, Eck, M.J. | Deposit date: | 2013-01-01 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5001 Å) | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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4IM0
| Structure of Tank-Binding Kinase 1 | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Tu, D, Eck, M.J. | Deposit date: | 2013-01-01 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4001 Å) | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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