1I6S
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![BU of 1i6s by Molmil](/molmil-images/mine/1i6s) | T4 LYSOZYME MUTANT C54T/C97A/N101A | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Kovall, R.A, Baldwin, E.P, Matthews, B.W. | Deposit date: | 2001-03-04 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme. Protein Sci., 10, 2001
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6A7F
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![BU of 6a7f by Molmil](/molmil-images/mine/6a7f) | |
5VVR
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![BU of 5vvr by Molmil](/molmil-images/mine/5vvr) | |
5VVS
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![BU of 5vvs by Molmil](/molmil-images/mine/5vvs) | RNA pol II elongation complex | Descriptor: | DNA (NTS), DNA (TS), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Lahiri, I, Leschziner, A.E. | Deposit date: | 2017-05-20 | Release date: | 2017-11-22 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | Structural basis for the initiation of eukaryotic transcription-coupled DNA repair. Nature, 551, 2017
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7FEB
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![BU of 7feb by Molmil](/molmil-images/mine/7feb) | |
7FED
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![BU of 7fed by Molmil](/molmil-images/mine/7fed) | |
7FEC
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![BU of 7fec by Molmil](/molmil-images/mine/7fec) | |
2HHA
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![BU of 2hha by Molmil](/molmil-images/mine/2hha) | The structure of DPP4 in complex with an oxadiazole inhibitor | Descriptor: | (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G. | Deposit date: | 2006-06-28 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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7EJE
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![BU of 7eje by Molmil](/molmil-images/mine/7eje) | human RAD51 post-synaptic complex | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, ... | Authors: | Zhao, L.Y, Xu, J.F, Wang, H.W. | Deposit date: | 2021-04-02 | Release date: | 2022-03-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination. Nucleic Acids Res., 49, 2021
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7EJC
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![BU of 7ejc by Molmil](/molmil-images/mine/7ejc) | human RAD51 presynaptic complex | Descriptor: | 4-bromanyl-N-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, ... | Authors: | Zhao, L.Y, Xu, J.F, Wang, H.W. | Deposit date: | 2021-04-02 | Release date: | 2022-04-06 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination. Nucleic Acids Res., 49, 2021
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7EJ6
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![BU of 7ej6 by Molmil](/molmil-images/mine/7ej6) | Yeast Dmc1 presynaptic complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), HLJ1_G0016300.mRNA.1.CDS.1, ... | Authors: | Zhao, L.Y, Xu, J.F, Wang, H.W. | Deposit date: | 2021-04-01 | Release date: | 2022-04-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination. Nucleic Acids Res., 49, 2021
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7EJ7
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![BU of 7ej7 by Molmil](/molmil-images/mine/7ej7) | Yeast Dmc1 post-synaptic complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Zhao, L.Y, Xu, J.F, Wang, H.W. | Deposit date: | 2021-04-01 | Release date: | 2022-04-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination. Nucleic Acids Res., 49, 2021
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7XSV
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![BU of 7xsv by Molmil](/molmil-images/mine/7xsv) | Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3 | Descriptor: | 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1 | Authors: | Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H. | Deposit date: | 2022-05-15 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors. Bioorg.Med.Chem.Lett., 72, 2022
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3C43
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![BU of 3c43 by Molmil](/molmil-images/mine/3c43) | Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor | Descriptor: | (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Edmondson, S.D, Weber, A.E. | Deposit date: | 2008-01-29 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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7YQE
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![BU of 7yqe by Molmil](/molmil-images/mine/7yqe) | |
7YSE
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![BU of 7yse by Molmil](/molmil-images/mine/7yse) | Crystal structure of E. coli heterotetrameric GlyRS in complex with tRNA | Descriptor: | Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, MAGNESIUM ION, ... | Authors: | Han, L, Ju, Y, Zhou, H. | Deposit date: | 2022-08-12 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.907 Å) | Cite: | The binding mode of orphan glycyl-tRNA synthetase with tRNA supports the synthetase classification and reveals large domain movements. Sci Adv, 9, 2023
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6L8R
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![BU of 6l8r by Molmil](/molmil-images/mine/6l8r) | membrane-bound PD-L1-CD | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Maorong, W, Cao, Y, Bin, W, Bo, O. | Deposit date: | 2019-11-07 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | PD-L1 degradation is regulated by electrostatic membrane association of its cytoplasmic domain. Nat Commun, 12, 2021
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8HM4
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![BU of 8hm4 by Molmil](/molmil-images/mine/8hm4) | Crystal structure of PPIase | Descriptor: | Peptidylprolyl isomerase | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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8HM3
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![BU of 8hm3 by Molmil](/molmil-images/mine/8hm3) | Complex of PPIase-BfUbb | Descriptor: | GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ... | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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8XHA
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![BU of 8xha by Molmil](/molmil-images/mine/8xha) | Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor and L-glutamate | Descriptor: | 8-amino-7-oxononanoate synthase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE | Authors: | Xu, M.J, Zhang, D.K. | Deposit date: | 2023-12-17 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate. Int.J.Biol.Macromol., 268, 2024
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8XHD
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![BU of 8xhd by Molmil](/molmil-images/mine/8xhd) | Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor and L-glutamate | Descriptor: | 8-amino-7-oxononanoate synthase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE | Authors: | Xu, M.J, Zhang, D.K. | Deposit date: | 2023-12-17 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate. Int.J.Biol.Macromol., 268, 2024
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8XHK
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![BU of 8xhk by Molmil](/molmil-images/mine/8xhk) | Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, PYRIDOXAL-5'-PHOSPHATE | Authors: | Xu, M.J, Zhang, D.K. | Deposit date: | 2023-12-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate. Int.J.Biol.Macromol., 268, 2024
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6X3P
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![BU of 6x3p by Molmil](/molmil-images/mine/6x3p) | Co-structure of BTK kinase domain with L-005298385 inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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6X3N
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![BU of 6x3n by Molmil](/molmil-images/mine/6x3n) | Co-structure of BTK kinase domain with L-005085737 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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6X3O
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![BU of 6x3o by Molmil](/molmil-images/mine/6x3o) | Co-structure of BTK kinase domain with L-005191930 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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