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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3CXC
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![BU of 3cxc by Molmil](/molmil-images/mine/3cxc) | The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui | Descriptor: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ... | Authors: | Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M. | Deposit date: | 2008-04-24 | Release date: | 2009-04-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics. Bioorg.Med.Chem.Lett., 18, 2008
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5AGK
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![BU of 5agk by Molmil](/molmil-images/mine/5agk) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid | Descriptor: | (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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6AX6
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![BU of 6ax6 by Molmil](/molmil-images/mine/6ax6) | The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | Descriptor: | FE (II) ION, IODIDE ION, Procollagen lysyl hydroxylase and glycosyltransferase | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | Deposit date: | 2017-09-06 | Release date: | 2018-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.241 Å) | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun, 9, 2018
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4LMB
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![BU of 4lmb by Molmil](/molmil-images/mine/4lmb) | |
5C8N
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![BU of 5c8n by Molmil](/molmil-images/mine/5c8n) | EGFR kinase domain mutant "TMLR" with compound 23 | Descriptor: | Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-25 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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7CPU
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![BU of 7cpu by Molmil](/molmil-images/mine/7cpu) | Cryo-EM structure of 80S ribosome from mouse kidney | Descriptor: | 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | Authors: | Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H. | Deposit date: | 2020-08-08 | Release date: | 2022-02-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | A male germ-cell-specific ribosome controls male fertility. Nature, 612, 2022
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7CPV
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![BU of 7cpv by Molmil](/molmil-images/mine/7cpv) | Cryo-EM structure of 80S ribosome from mouse testis | Descriptor: | 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ... | Authors: | Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H. | Deposit date: | 2020-08-08 | Release date: | 2022-02-02 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | A male germ-cell-specific ribosome controls male fertility. Nature, 612, 2022
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6LU5
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![BU of 6lu5 by Molmil](/molmil-images/mine/6lu5) | Crystal structure of BPTF-BRD with ligand DCBPin5 bound | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-25 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86527729 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6LU6
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![BU of 6lu6 by Molmil](/molmil-images/mine/6lu6) | Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-26 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.970063 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6JBX
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![BU of 6jbx by Molmil](/molmil-images/mine/6jbx) | Crystal structure of Streptococcus pneumoniae FabT in complex with DNA | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*GP*TP*TP*TP*GP*AP*CP*TP*GP*TP*CP*AP*AP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*AP*AP*TP*TP*TP*GP*AP*CP*AP*GP*TP*CP*AP*AP*AP*CP*TP*AP*TP*T)-3'), Fatty acid biosynthesis transcriptional regulator, ... | Authors: | Zuo, G, Chen, Z.P, Li, Q, Zhou, C.Z. | Deposit date: | 2019-01-27 | Release date: | 2019-07-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into repression of the Pneumococcal fatty acid synthesis pathway by repressor FabT and co-repressor acyl-ACP. Febs Lett., 593, 2019
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5EDP
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![BU of 5edp by Molmil](/molmil-images/mine/5edp) | EGFR kinase (T790M/L858R) apo | Descriptor: | Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-10-21 | Release date: | 2015-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 26, 2016
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5HCZ
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![BU of 5hcz by Molmil](/molmil-images/mine/5hcz) | EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21 | Descriptor: | 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-01-04 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
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4ZTP
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6XIM
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![BU of 6xim by Molmil](/molmil-images/mine/6xim) | |
5AGM
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![BU of 5agm by Molmil](/molmil-images/mine/5agm) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid | Descriptor: | (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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8WM7
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![BU of 8wm7 by Molmil](/molmil-images/mine/8wm7) | Cryo-EM structure of cyanobacterial nitrate/nitrite transporter NrtBCD in complex with signalling protein PII | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nitrate transport ATP-binding protein, Nitrate transport permease protein, ... | Authors: | Li, B, Zhou, C.Z, Chen, Y.X, Jiang, Y.L. | Deposit date: | 2023-10-03 | Release date: | 2024-02-28 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Allosteric regulation of nitrate transporter NRT via the signaling protein PII. Proc.Natl.Acad.Sci.USA, 121, 2024
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5GNG
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![BU of 5gng by Molmil](/molmil-images/mine/5gng) | |
4JII
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![BU of 4jii by Molmil](/molmil-images/mine/4jii) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 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: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 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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5GOE
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![BU of 5goe by Molmil](/molmil-images/mine/5goe) | Truncated mitofusin-1, GDP-bound | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitofusin-1 | Authors: | Cao, Y.L, Gao, S. | Deposit date: | 2016-07-26 | Release date: | 2017-01-25 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion Nature, 542, 2017
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4LMA
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![BU of 4lma by Molmil](/molmil-images/mine/4lma) | |
5CAN
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![BU of 5can by Molmil](/molmil-images/mine/5can) | EGFR kinase domain mutant "TMLR" with compound 27 | Descriptor: | (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-29 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAV
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![BU of 5cav by Molmil](/molmil-images/mine/5cav) | EGFR kinase domain with compound 41a | Descriptor: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-06-30 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5EDQ
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![BU of 5edq by Molmil](/molmil-images/mine/5edq) | EGFR kinase (T790M/L858R) with inhibitor compound 15: ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | Descriptor: | Epidermal growth factor receptor, ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-10-21 | Release date: | 2015-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 26, 2016
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5EM7
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![BU of 5em7 by Molmil](/molmil-images/mine/5em7) | |