4ND4
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8OHA
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![BU of 8oha by Molmil](/molmil-images/mine/8oha) | Crystal structure of Leptospira interrogans GAPDH | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ... | Authors: | Navas-Yuste, S, de la Paz, K, Querol-Garcia, J, Gomez-Quevedo, S, Rodriguez de Cordoba, S, Fernandez, F.J, Vega, M.C. | Deposit date: | 2023-03-20 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The structure of Leptospira interrogans GAPDH sheds light into an immunoevasion factor that can target the anaphylatoxin C5a of innate immunity. Front Immunol, 14, 2023
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6PEY
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![BU of 6pey by Molmil](/molmil-images/mine/6pey) | MTHFR with mutation Asp120Ala | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase | Authors: | Gallagher, E.L, Gurney, L.A, Frasco, F.G, Trimmer, E, Bolen, R.L, Collins, K, Garland, E, Halloran, J, Handley-Pendelton, J, Hernandez, V, Leffler, S, Perez, A, Soares, A, Stojanoff, V, Williams, D. | Deposit date: | 2019-06-21 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Examination of Asp120Ala a Chemically Important Novel Mutation in the Enzyme Mthylenetetrahydrofolate Reductase To be published
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6PH3
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![BU of 6ph3 by Molmil](/molmil-images/mine/6ph3) | LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (dark-adapted, construct 15-273) | Descriptor: | Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE | Authors: | Rinaldi, J, Otero, L.H, Fernandez, I, Goldbaum, F.A, Shin, H, Yang, X, Klinke, S. | Deposit date: | 2019-06-25 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase. Mbio, 12, 2021
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6K5F
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![BU of 6k5f by Molmil](/molmil-images/mine/6k5f) | Crystal structure of the CLC-ec1 deltaNC in presence of 200 mM NaBr | Descriptor: | BROMIDE ION, Fab fragment, heavy chain, ... | Authors: | Park, K, Lim, H.H. | Deposit date: | 2019-05-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.203 Å) | Cite: | Mutation of external glutamate residue reveals a new intermediate transport state and anion binding site in a CLC Cl-/H+antiporter. Proc.Natl.Acad.Sci.USA, 116, 2019
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1NAM
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![BU of 1nam by Molmil](/molmil-images/mine/1nam) | MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BM3.3 T Cell Receptor alpha-Chain, BM3.3 T Cell Receptor beta-Chain, ... | Authors: | Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B. | Deposit date: | 2002-11-28 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | CDR3 loop flexibility contributes to the degeneracy of TCR recognition Nat.Immunol., 4, 2003
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5OH8
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![BU of 5oh8 by Molmil](/molmil-images/mine/5oh8) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Rolipram | Descriptor: | Cereblon isoform 4, ROLIPRAM, ZINC ION | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | Deposit date: | 2017-07-14 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Chemical Ligand Space of Cereblon. Acs Omega, 3, 2018
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6PPS
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![BU of 6pps by Molmil](/molmil-images/mine/6pps) | A blue light illuminated LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (construct 15-273) | Descriptor: | Blue-light-activated histidine kinase, FLAVIN MONONUCLEOTIDE | Authors: | Rinaldi, J, Fernandez, I, Shin, H, Gunawardana, S, Otero, L.H, Cerutti, M.L, Yang, X, Klinke, S, Goldbaum, F.A. | Deposit date: | 2019-07-08 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase. Mbio, 12, 2021
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6FQN
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![BU of 6fqn by Molmil](/molmil-images/mine/6fqn) | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-02-14 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.30002666 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6IWF
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![BU of 6iwf by Molmil](/molmil-images/mine/6iwf) | Crystal structure of HitA from Pseudomonas aeruginosa | Descriptor: | Ferric iron-binding protein HitA | Authors: | Guo, Y, Zhengrui, Z, Li, H. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.70662332 Å) | Cite: | Identification and Characterization of a Metalloprotein Involved in Gallium Internalization in Pseudomonas aeruginosa. Acs Infect Dis., 5, 2019
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8HE3
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6FZI
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![BU of 6fzi by Molmil](/molmil-images/mine/6fzi) | Crystal Structure of a Clostridial Dehydrogenase at 2.55 Angstroems Resolution | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gomez, S, Querol-Garcia, J, Sanchez-Barron, G, Subias, M, Gonzalez-Alsina, A, Melchor-Tafur, C, Franco-Hidalgo, V, Alberti, S, Rodriguez de Cordoba, S, Fernandez, F.J, Vega, M.C. | Deposit date: | 2018-03-14 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Antimicrobials Anacardic Acid and Curcumin Are Not-Competitive Inhibitors of Gram-Positive Bacterial Pathogenic Glyceraldehyde-3-Phosphate Dehydrogenase by a Mechanism Unrelated to Human C5a Anaphylatoxin Binding. Front Microbiol, 10, 2019
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8HE0
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8HLA
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8HH0
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8K5N
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![BU of 8k5n by Molmil](/molmil-images/mine/8k5n) | Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy | Descriptor: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Xiao, Y.B. | Deposit date: | 2023-07-22 | Release date: | 2024-01-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy. J.Med.Chem., 66, 2023
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6GCU
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![BU of 6gcu by Molmil](/molmil-images/mine/6gcu) | MET receptor in complex with InlB internalin domain and DARPin A3A | Descriptor: | DARPin A3A, Hepatocyte growth factor receptor, Internalin B | Authors: | Meyer, T, Andres, F, Iamele, L, Gherardi, E, Pluckthun, A, Niemann, H.H. | Deposit date: | 2018-04-19 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (6.001 Å) | Cite: | Inhibition of the MET Kinase Activity and Cell Growth in MET-Addicted Cancer Cells by Bi-Paratopic Linking. J.Mol.Biol., 431, 2019
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4ND5
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7T02
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6FRJ
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![BU of 6frj by Molmil](/molmil-images/mine/6frj) | Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... | Authors: | Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2018-02-16 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage. J. Am. Chem. Soc., 141, 2019
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7U4E
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7U4F
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7U4G
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![BU of 7u4g by Molmil](/molmil-images/mine/7u4g) | Neuraminidase from influenza virus A/Shandong/9/1993(H3N2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | Authors: | Lei, R, Hernandez Garcia, A. | Deposit date: | 2022-02-28 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase. Nat Commun, 13, 2022
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1FUJ
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![BU of 1fuj by Molmil](/molmil-images/mine/1fuj) | PR3 (MYELOBLASTIN) | Descriptor: | PR3, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Fujinaga, M, Chernaia, M.M, Halenbeck, R, Koths, K, James, M.N.G. | Deposit date: | 1996-01-25 | Release date: | 1996-07-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of PR3, a neutrophil serine proteinase antigen of Wegener's granulomatosis antibodies. J.Mol.Biol., 261, 1996
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6G4P
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![BU of 6g4p by Molmil](/molmil-images/mine/6g4p) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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