1B4W
 
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6MJI
 | | Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Zajonc, D.M, Bitra, A, Janssens, J. | | Deposit date: | 2018-09-20 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
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7OUN
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7OLV
 | | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | | Descriptor: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | Deposit date: | 2021-05-20 | | Release date: | 2021-09-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
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7TV9
 | | HUMAN COMPLEMENT COMPONENT C3B IN COMPLEX WITH APL-1030 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APL-1030 Nanofitin, Complement C3 beta chain, ... | | Authors: | Fontano, E, Nadupalli, A, Lakshminarasimhan, D, White, A, Garlish, J, Cinier, M, Chevrel, A, Perrocheau, A, Eyerman, D, Orme, M, Kitten, O, Scheibler, L. | | Deposit date: | 2022-02-04 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Discovery of APL-1030, a Novel, High-Affinity Nanofitin Inhibitor of C3-Mediated Complement Activation.
Biomolecules, 12, 2022
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7OOI
 | | Anti-EphA1 JD1 VH domain | | Descriptor: | JD1 VH domain, SULFATE ION | | Authors: | Ereno-Orbea, J, Nilvebrant, J, Sidhu, S, Julien, J.P. | | Deposit date: | 2021-05-27 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Systematic Engineering of Optimized Autonomous Heavy-Chain Variable Domains.
J.Mol.Biol., 433, 2021
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7P4Y
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7P4V
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7P50
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7QTV
 | | Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx) | | Descriptor: | 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P. | | Deposit date: | 2022-01-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.05 Å) | | Cite: | The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
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7OMN
 | | Anti-EphA1 JD1-1 VH domain | | Descriptor: | GLYCEROL, IMIDAZOLE, JD1-1 VH domain | | Authors: | Ereno Orbea, J, Nilvebrant, J, Sidhu, S, Julien, J.P. | | Deposit date: | 2021-05-24 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Systematic Engineering of Optimized Autonomous Heavy-Chain Variable Domains.
J.Mol.Biol., 433, 2021
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1B5O
 | | THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE SINGLE MUTANT 1 | | Descriptor: | PHOSPHATE ION, PROTEIN (ASPARTATE AMINOTRANSFERASE), PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ura, H, Nakai, T, Kawaguchi, S.I, Miyahara, I, Hirotsu, K, Kuramitsu, S. | | Deposit date: | 1999-01-07 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate recognition mechanism of thermophilic dual-substrate enzyme
J.BIOCHEM.(TOKYO), 130, 2001
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7QRN
 | | Crystal structure of Ovalbumin-related protein X (OVAX) complexed with fondaparinux | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Ovalbumin-related protein X, ... | | Authors: | Coste, F, Bruneau, G, Rehault-Godbert, S. | | Deposit date: | 2022-01-11 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Antimicrobial Proteins and Peptides in Avian Eggshell: Structural Diversity and Potential Roles in Biomineralization.
Front Immunol, 13, 2022
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7OWY
 | | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 3 minutes showing a peroxide anion as bridging species of iron ions in the ferroxidase site | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | | Deposit date: | 2021-06-21 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
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6PD5
 | | Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 6.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | | Deposit date: | 2019-06-18 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography.
J.Struct.Biol., 209, 2020
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1AUK
 | | HUMAN ARYLSULFATASE A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARYLSULFATASE A, MAGNESIUM ION | | Authors: | Lukatela, G, Krauss, N, Theis, K, Gieselmann, V, Von Figura, K, Saenger, W. | | Deposit date: | 1997-08-29 | | Release date: | 1998-03-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human arylsulfatase A: the aldehyde function and the metal ion at the active site suggest a novel mechanism for sulfate ester hydrolysis.
Biochemistry, 37, 1998
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6PD6
 | | Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 7.0 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | | Deposit date: | 2019-06-18 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography.
J.Struct.Biol., 209, 2020
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6PDL
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7NNW
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate. | | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7N56
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6XUK
 | | AbLIFT design 15 of Ab 1116NS19.9 | | Descriptor: | GLYCEROL, Heavy chain, Light chain, ... | | Authors: | Diskin, R, Borenstein-Katz, A. | | Deposit date: | 2020-01-20 | | Release date: | 2021-02-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
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7NRF
 | | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | | Deposit date: | 2021-03-03 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
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7NRE
 | | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | | Deposit date: | 2021-03-03 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
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6PD3
 | | Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | | Deposit date: | 2019-06-18 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography.
J.Struct.Biol., 209, 2020
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7O0T
 | | Crystal structure of Chloroflexus aggregans ene-reductase CaOYE holoenzyme | | Descriptor: | FLAVIN MONONUCLEOTIDE, MALONATE ION, NADH:flavin oxidoreductase/NADH oxidase | | Authors: | Robescu, M.S, Niero, M, Loprete, G, Bergantino, E, Cendron, L. | | Deposit date: | 2021-03-26 | | Release date: | 2021-05-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A New Thermophilic Ene-Reductase from the Filamentous Anoxygenic Phototrophic Bacterium Chloroflexus aggregans .
Microorganisms, 9, 2021
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