7RZG
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![BU of 7rzg by Molmil](/molmil-images/mine/7rzg) | Insulin Degrading Enzyme O/pO | Descriptor: | Cysteine-free Insulin-degrading enzyme | Authors: | Mancl, J.M, Liang, W.G, Tang, W.J. | Deposit date: | 2021-08-27 | Release date: | 2022-08-31 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Ensemble cryoEM reveals a substrate-induced shift in the conformational dynamics of human insulin degrading enzyme To be published
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4XQD
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![BU of 4xqd by Molmil](/molmil-images/mine/4xqd) | X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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7S51
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![BU of 7s51 by Molmil](/molmil-images/mine/7s51) | Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide | Descriptor: | LEU-PRO-ALA-THR-ALA, Sortase | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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7S4O
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![BU of 7s4o by Molmil](/molmil-images/mine/7s4o) | Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide | Descriptor: | LEU-PRO-ALA-THR-SER-GLY, Sortase | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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1KSI
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![BU of 1ksi by Molmil](/molmil-images/mine/1ksi) | CRYSTAL STRUCTURE OF A EUKARYOTIC (PEA SEEDLING) COPPER-CONTAINING AMINE OXIDASE AT 2.2A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | Authors: | Wilce, M.C.J, Kumar, V, Freeman, H.C, Guss, J.M. | Deposit date: | 1996-07-20 | Release date: | 1997-12-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a eukaryotic (pea seedling) copper-containing amine oxidase at 2.2 A resolution. Structure, 4, 1996
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6RPC
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![BU of 6rpc by Molmil](/molmil-images/mine/6rpc) | GOLGI ALPHA-MANNOSIDASE II | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, SUCCINIC ACID, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-14 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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8FWA
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![BU of 8fwa by Molmil](/molmil-images/mine/8fwa) | Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ... | Authors: | Botha, S, Doppler, D.L, Sonker, M, Egatz-Gomez, A, Grieco, A, Zaare, S, Jernigan, R, Meza-Aguilar, J.D, Rabbani, M.T, Manna, A, Alvarez, R, Karpos, K, Cruz Villarreal, J, Nelson, G, Ketawala, G.K, Pey, A.L, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Nazari, R, Sierra, R, Hunter, M.S, Batyuk, A, Kupitz, C.J, Sublett, R.E, Lisova, S, Mariani, V, Boutet, S, Fromme, R, Grant, T.D, Fromme, P, Kirian, R.A, Martin-Garcia, J.M, Ros, A. | Deposit date: | 2023-01-20 | Release date: | 2023-06-28 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme. Lab Chip, 23, 2023
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8FFR
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![BU of 8ffr by Molmil](/molmil-images/mine/8ffr) | Revised structure of the rabies virus nucleoprotein-RNA complex | Descriptor: | Nucleoprotein, PHOSPHATE ION, RNA (99-MER) | Authors: | Leyrat, C, Bourhis, J.M, Albertini, A.A.V, Wernimont, A.K, Muziol, T, Ravelli, R.B.G, Weissenhorn, W, Ruigrok, R.W.H, Jamin, M. | Deposit date: | 2022-12-09 | Release date: | 2023-01-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structure and Dynamics of the Unassembled Nucleoprotein of Rabies Virus in Complex with Its Phosphoprotein Chaperone Module. Viruses, 14, 2022
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1KEY
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![BU of 1key by Molmil](/molmil-images/mine/1key) | Crystal Structure of Mouse Testis/Brain RNA-binding Protein (TB-RBP) | Descriptor: | translin | Authors: | Pascal, J.M, Hart, P.J, Hecht, N.B, Robertus, J.D. | Deposit date: | 2001-11-19 | Release date: | 2002-07-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal Structure of TB-RBP, a Novel RNA-binding and Regulating Protein J.Mol.Biol., 319, 2002
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1KJ5
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![BU of 1kj5 by Molmil](/molmil-images/mine/1kj5) | Solution Structure of Human beta-defensin 1 | Descriptor: | BETA-DEFENSIN 1 | Authors: | Schibli, D.J, Hunter, H.N, Aseyev, V, Starner, T.D, Wiencek, J.M, McCray Jr, P.B, Tack, B.F, Vogel, H.J. | Deposit date: | 2001-12-04 | Release date: | 2002-03-20 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The solution structures of the human beta-defensins lead to a better understanding of the potent bactericidal activity of HBD3 against Staphylococcus aureus. J.Biol.Chem., 277, 2002
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5EZR
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![BU of 5ezr by Molmil](/molmil-images/mine/5ezr) | Crystal Structure of PVX_084705 bound to compound | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-26 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of PVX_084705 bound to compound To Be Published
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1KWA
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![BU of 1kwa by Molmil](/molmil-images/mine/1kwa) | HUMAN CASK/LIN-2 PDZ DOMAIN | Descriptor: | HCASK/LIN-2 PROTEIN, SULFATE ION | Authors: | Daniels, D.L, Cohen, A.R, Anderson, J.M, Brunger, A.T. | Deposit date: | 1998-01-16 | Release date: | 1998-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of the hCASK PDZ domain reveals the structural basis of class II PDZ domain target recognition Nat.Struct.Biol., 5, 1998
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6RRN
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![BU of 6rrn by Molmil](/molmil-images/mine/6rrn) | GOLGI ALPHA-MANNOSIDASE II in complex with pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide | Descriptor: | (2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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6RRY
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![BU of 6rry by Molmil](/molmil-images/mine/6rry) | GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-1,2,3,6-tetrahydro-3-pyridinol | Descriptor: | (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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1KJL
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![BU of 1kjl by Molmil](/molmil-images/mine/1kjl) | High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc | Descriptor: | BROMIDE ION, CHLORIDE ION, Galectin-3, ... | Authors: | Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J. | Deposit date: | 2001-12-04 | Release date: | 2005-04-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction. J.Am.Chem.Soc., 127, 2005
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1KHW
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![BU of 1khw by Molmil](/molmil-images/mine/1khw) | Crystal Structure of Rabbit Hemorrhagic Disease Virus RNA-dependent RNA polymerase complexed with Mn2+ | Descriptor: | MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Ng, K.K, Cherney, M.M, Vazquez, A.L, Machin, A, Alonso, J.M, Parra, F, James, M.N. | Deposit date: | 2001-12-01 | Release date: | 2002-01-16 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of active and inactive conformations of a caliciviral RNA-dependent RNA polymerase. J.Biol.Chem., 277, 2002
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8FTJ
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![BU of 8ftj by Molmil](/molmil-images/mine/8ftj) | Crystal structure of human NEIL1 (P2G (242K) C(delta)100) glycosylase bound to DNA duplex containing urea | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*TP*CP*CP*AP*UDV*GP*TP*CP*TP*AP*CP)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*GP*G)-3'), ... | Authors: | Tomar, R, Sharma, P, Harp, J.M, Egli, M, Stone, M.P. | Deposit date: | 2023-01-12 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Base excision repair of the N-(2-deoxy-d-erythro-pentofuranosyl)-urea lesion by the hNEIL1 glycosylase. Nucleic Acids Res., 51, 2023
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1KU8
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![BU of 1ku8 by Molmil](/molmil-images/mine/1ku8) | Crystal structure of Jacalin | Descriptor: | JACALIN ALPHA CHAIN, JACALIN BETA CHAIN | Authors: | Bourne, Y, Astoul, C.H, Zamboni, V, Peumans, W.J, Menu-Bouaouiche, L, Van Damme, E.J.M, Barre, A, Rouge, P. | Deposit date: | 2002-01-21 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the unusual carbohydrate-binding specificity of jacalin towards galactose and mannose. Biochem.J., 364, 2002
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7SIY
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![BU of 7siy by Molmil](/molmil-images/mine/7siy) | cCBL TKB domain in complex with pZAP70 peptide | Descriptor: | E3 ubiquitin-protein ligase CBL, MAGNESIUM ION, Peptide from Tyrosine-protein kinase ZAP-70 | Authors: | Murray, J.M, Yu, C. | Deposit date: | 2021-10-15 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | cCBL TKB domain in complex with pZAP70 peptide To Be Published
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1KJR
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![BU of 1kjr by Molmil](/molmil-images/mine/1kjr) | Crystal Structure of the human galectin-3 CRD in complex with a 3'-derivative of N-Acetyllactosamine | Descriptor: | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE, CHLORIDE ION, Galectin-3, ... | Authors: | Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J. | Deposit date: | 2001-12-05 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction. J.Am.Chem.Soc., 127, 2005
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5F2E
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![BU of 5f2e by Molmil](/molmil-images/mine/5f2e) | Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State. Cancer Discov, 6, 2016
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7L0B
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![BU of 7l0b by Molmil](/molmil-images/mine/7l0b) | Crystal structure of hydroxyacyl glutathione hydrolase (GloB) from Staphylococcus aureus, apoenzyme | Descriptor: | Hydroxyacylglutathione hydrolase, SULFATE ION, ZINC ION | Authors: | Miller, J.J, Jez, J.M, Odom John, A.R. | Deposit date: | 2020-12-11 | Release date: | 2020-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-guided microbial targeting of antistaphylococcal prodrugs. Elife, 10, 2021
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1KUF
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![BU of 1kuf by Molmil](/molmil-images/mine/1kuf) | High-resolution Crystal Structure of a Snake Venom Metalloproteinase from Taiwan Habu | Descriptor: | CADMIUM ION, metalloproteinase | Authors: | Huang, K.F, Chiou, S.H, Ko, T.P, Yuann, J.M, Wang, A.H.J. | Deposit date: | 2002-01-21 | Release date: | 2002-07-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The 1.35 A structure of cadmium-substituted TM-3, a snake-venom metalloproteinase from Taiwan habu: elucidation of a TNFalpha-converting enzyme-like active-site structure with a distorted octahedral geometry of cadmium. Acta Crystallogr.,Sect.D, 58, 2002
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8FJT
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![BU of 8fjt by Molmil](/molmil-images/mine/8fjt) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor | Descriptor: | GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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1KSQ
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![BU of 1ksq by Molmil](/molmil-images/mine/1ksq) | NMR Study of the Third TB Domain from Latent Transforming Growth Factor-beta Binding Protein-1 | Descriptor: | LATENT TRANSFORMING GROWTH FACTOR BETA BINDING PROTEIN 1 | Authors: | Lack, J, O'leary, J.M, Knott, V, Yuan, X, Rifkin, D.B, Handford, P.A, Downing, A.K. | Deposit date: | 2002-01-14 | Release date: | 2003-08-26 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Third TB Domain from LTBP1 Provides Insight into Assembly
of the Large Latent Complex that Sequesters Latent TGF-beta. J.Mol.Biol., 334, 2003
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