3M7L
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![BU of 3m7l by Molmil](/molmil-images/mine/3m7l) | |
8GVJ
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![BU of 8gvj by Molmil](/molmil-images/mine/8gvj) | Crystal structure of cMET kinase domain bound by D6808 | Descriptor: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2022-09-15 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7D57
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![BU of 7d57 by Molmil](/molmil-images/mine/7d57) | C-Src in complex with FIIN-2 | Descriptor: | N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION | Authors: | Chen, Y.H, Qu, L.Z. | Deposit date: | 2020-09-25 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors Commun Chem, 5, 2022
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7XPQ
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![BU of 7xpq by Molmil](/molmil-images/mine/7xpq) | |
7XPO
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![BU of 7xpo by Molmil](/molmil-images/mine/7xpo) | Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ... | Authors: | Chen, Y.H, Wang, X.C, Zhang, C.R. | Deposit date: | 2022-05-05 | Release date: | 2023-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis. Nat Commun, 14, 2023
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7XPP
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![BU of 7xpp by Molmil](/molmil-images/mine/7xpp) | |
4N6F
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![BU of 4n6f by Molmil](/molmil-images/mine/4n6f) | Crystal structure of Amycolatopsis orientalis BexX complexed with G6P | Descriptor: | CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | Deposit date: | 2013-10-11 | Release date: | 2014-05-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature, 509, 2014
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4N6E
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![BU of 4n6e by Molmil](/molmil-images/mine/4n6e) | Crystal structure of Amycolatopsis orientalis BexX/CysO complex | Descriptor: | Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | Deposit date: | 2013-10-11 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature, 509, 2014
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4X8C
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![BU of 4x8c by Molmil](/molmil-images/mine/4x8c) | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone | Authors: | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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4X8G
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![BU of 4x8g by Molmil](/molmil-images/mine/4x8g) | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199 | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone | Authors: | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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4HI3
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![BU of 4hi3 by Molmil](/molmil-images/mine/4hi3) | |
1XWO
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![BU of 1xwo by Molmil](/molmil-images/mine/1xwo) | |
8XLO
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![BU of 8xlo by Molmil](/molmil-images/mine/8xlo) | |
8XLQ
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![BU of 8xlq by Molmil](/molmil-images/mine/8xlq) | |
4ZGI
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![BU of 4zgi by Molmil](/molmil-images/mine/4zgi) | Structure of Truncated Human TIFA | Descriptor: | TRAF-interacting protein with FHA domain-containing protein A | Authors: | Weng, J.H, Wei, T.Y.W, Hsieh, Y.C, Huang, C.C.F, Wu, P.Y.G, Chen, E.S.W, Huang, K.F, Chen, C.J, Tsai, M.D. | Deposit date: | 2015-04-23 | Release date: | 2015-10-14 | Last modified: | 2015-10-28 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Uncovering the Mechanism of Forkhead-Associated Domain-Mediated TIFA Oligomerization That Plays a Central Role in Immune Responses. Biochemistry, 54, 2015
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4YM4
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![BU of 4ym4 by Molmil](/molmil-images/mine/4ym4) | Truncated Human TIFA in complex with its Thr9 phosphorylated N-terminal peptide 1-15 | Descriptor: | TRAF-interacting protein with FHA domain-containing protein A | Authors: | Weng, J.H, Wei, T.Y.W, Hsieh, Y.C, Huang, C.C.F, Wu, P.Y.G, Chen, E.S.W, Huang, K.F, Chen, C.J, Tsai, M.D. | Deposit date: | 2015-03-06 | Release date: | 2015-10-21 | Last modified: | 2015-10-28 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Uncovering the Mechanism of Forkhead-Associated Domain-Mediated TIFA Oligomerization That Plays a Central Role in Immune Responses. Biochemistry, 54, 2015
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7V29
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![BU of 7v29 by Molmil](/molmil-images/mine/7v29) | Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION | Authors: | Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H. | Deposit date: | 2021-08-07 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Structure-based design of a dual-warhead covalent inhibitor of FGFR4. Commun Chem, 5, 2022
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6TB3
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![BU of 6tb3 by Molmil](/molmil-images/mine/6tb3) | yeast 80S ribosome in complex with the Not5 subunit of the CCR4-NOT complex | Descriptor: | 25S rRNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R. | Deposit date: | 2019-10-31 | Release date: | 2020-04-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The Ccr4-Not complex monitors the translating ribosome for codon optimality. Science, 368, 2020
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6TNU
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![BU of 6tnu by Molmil](/molmil-images/mine/6tnu) | Yeast 80S ribosome in complex with eIF5A and decoding A-site and P-site tRNAs. | Descriptor: | 18S rRNA, 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R. | Deposit date: | 2019-12-10 | Release date: | 2020-04-22 | Last modified: | 2020-04-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The Ccr4-Not complex monitors the translating ribosome for codon optimality. Science, 368, 2020
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5AWV
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![BU of 5awv by Molmil](/molmil-images/mine/5awv) | |
3ERF
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![BU of 3erf by Molmil](/molmil-images/mine/3erf) | Crystal structure of Gtt2 from Saccharomyces cerevisiae | Descriptor: | Glutathione S-transferase 2 | Authors: | Ma, X.X, Jiang, Y.L, He, Y.X, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2008-10-02 | Release date: | 2009-10-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structures of yeast glutathione-S-transferase Gtt2 reveal a new catalytic type of GST family. Embo Rep., 10, 2009
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5EGM
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![BU of 5egm by Molmil](/molmil-images/mine/5egm) | Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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6LBI
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![BU of 6lbi by Molmil](/molmil-images/mine/6lbi) | |
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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5GPL
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![BU of 5gpl by Molmil](/molmil-images/mine/5gpl) | Crystal structure of Ccp1 | Descriptor: | Putative nucleosome assembly protein C36B7.08c | Authors: | Yin, F, Gao, F, Chen, Y. | Deposit date: | 2016-08-03 | Release date: | 2016-11-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading Mol.Cell, 64, 2016
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