6KVN
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5WIK
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![BU of 5wik by Molmil](/molmil-images/mine/5wik) | JAK2 Pseudokinase in complex with BI-D1870 | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
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5WIM
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![BU of 5wim by Molmil](/molmil-images/mine/5wim) | JAK2 Pseudokinase in complex with AT9283 | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
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5WJO
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![BU of 5wjo by Molmil](/molmil-images/mine/5wjo) | Crystal structure of the unliganded PG90 TCR | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-24 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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5I5R
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![BU of 5i5r by Molmil](/molmil-images/mine/5i5r) | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine | Descriptor: | (2S,3S,4R,5S,2'S,3'S,4'R,5'S)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol), Alpha-L-fucosidase, IMIDAZOLE, ... | Authors: | Wright, D.W, Davies, G.J. | Deposit date: | 2016-02-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Will be disclosed later To Be Published
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5I7I
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![BU of 5i7i by Molmil](/molmil-images/mine/5i7i) | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-crystallized 3-hydroxybenzoate | Descriptor: | 3-HYDROXYBENZOIC ACID, DI(HYDROXYETHYL)ETHER, TRAP solute Binding Protein | Authors: | Vetting, M.W, Al Obaidi, N.F, Hogle, S.L, Dupont, C.L, Almo, S.C. | Deposit date: | 2016-02-17 | Release date: | 2017-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate To Be Published
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5I8L
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![BU of 5i8l by Molmil](/molmil-images/mine/5i8l) | Crystal structure of the full-length cell wall-binding module of Cpl7 mutant R223A | Descriptor: | GLYCEROL, Lysozyme | Authors: | Bernardo-Garcia, N, Silva-Martin, N, Uson, I, Hermoso, J.A. | Deposit date: | 2016-02-19 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Deciphering how Cpl-7 cell wall-binding repeats recognize the bacterial peptidoglycan. Sci Rep, 7, 2017
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6L9B
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![BU of 6l9b by Molmil](/molmil-images/mine/6l9b) | X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11A | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Penmatsa, A, Chatterjee, J, Khatri, B, Majumder, P. | Deposit date: | 2019-11-08 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Increasing protein stability by engineering the n -> pi * interaction at the beta-turn. Chem Sci, 11, 2020
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5I9Q
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![BU of 5i9q by Molmil](/molmil-images/mine/5i9q) | Crystal structure of 3BNC55 Fab in complex with 426c.TM4deltaV1-3 gp120 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC55 Fab heavy chain, ... | Authors: | Scharf, L, Chen, C, Bjorkman, P.J. | Deposit date: | 2016-02-20 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for germline antibody recognition of HIV-1 immunogens. Elife, 5, 2016
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5WL0
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![BU of 5wl0 by Molmil](/molmil-images/mine/5wl0) | Co-crystal structure of Influenza A H3N2 PB2 (241-741) bound to VX-787 | Descriptor: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, Polymerase basic protein 2 | Authors: | Ma, X, Shia, S. | Deposit date: | 2017-07-25 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for therapeutic inhibition of influenza A polymerase PB2 subunit. Sci Rep, 7, 2017
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6L1J
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![BU of 6l1j by Molmil](/molmil-images/mine/6l1j) | Crystal structure of barley exohydrolaseI W434A mutant in complex with 4'-nitrophenyl thiolaminaritrioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-09-29 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6KOI
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![BU of 6koi by Molmil](/molmil-images/mine/6koi) | Crystal structure of SNX11-PXe domain in dimer form. | Descriptor: | Sorting nexin-11 | Authors: | Xu, T, Xu, J, Liu, J. | Deposit date: | 2019-08-11 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular Basis for PI(3,5)P2Recognition by SNX11, a Protein Involved in Lysosomal Degradation and Endosome Homeostasis Regulation. J.Mol.Biol., 432, 2020
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6KOZ
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![BU of 6koz by Molmil](/molmil-images/mine/6koz) | Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid | Descriptor: | LEUCINE, SODIUM ION, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2019-08-13 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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5X1K
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![BU of 5x1k by Molmil](/molmil-images/mine/5x1k) | Vanillate/3-O-methylgallate O-demethylase, LigM, 3-O-methylgallate complex form | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methoxy-4,5-bis(oxidanyl)benzoic acid, ... | Authors: | Harada, A, Senda, T. | Deposit date: | 2017-01-26 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6 FEBS J., 284, 2017
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5WLI
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![BU of 5wli by Molmil](/molmil-images/mine/5wli) | Crystal Structure of H-2Db with the GAP501 peptide (SQL) | Descriptor: | Beta-2-microglobulin, GAP50 peptide, H-2 class I histocompatibility antigen, ... | Authors: | Gras, S, Farenc, C, Josephs, T, Rossjohn, J. | Deposit date: | 2017-07-27 | Release date: | 2017-11-15 | Last modified: | 2019-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene. Immunity, 47, 2017
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5WNB
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![BU of 5wnb by Molmil](/molmil-images/mine/5wnb) | Structure of antibody 3D3 bound to the linear epitope of RSV G | Descriptor: | ACETIC ACID, Major surface glycoprotein G, ZINC ION, ... | Authors: | Fedechkin, S.O, George, N.L, Wolff, J.T, Kauvar, L.M, DuBois, R.M. | Deposit date: | 2017-07-31 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of respiratory syncytial virus G antigen bound to broadly neutralizing antibodies. Sci Immunol, 3, 2018
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6KRH
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![BU of 6krh by Molmil](/molmil-images/mine/6krh) | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | Deposit date: | 2019-08-21 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol, 77, 2021
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5WNW
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![BU of 5wnw by Molmil](/molmil-images/mine/5wnw) | Chaperone Spy bound to Im7 6-45 ensemble | Descriptor: | CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ... | Authors: | Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A. | Deposit date: | 2017-08-01 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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6KRQ
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6LCD
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6KSC
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6LCW
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![BU of 6lcw by Molmil](/molmil-images/mine/6lcw) | Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Dark | Descriptor: | BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-11-20 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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5IFM
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![BU of 5ifm by Molmil](/molmil-images/mine/5ifm) | Human NONO (p54nrb) Homodimer | Descriptor: | CHLORIDE ION, GLYCEROL, Non-POU domain-containing octamer-binding protein, ... | Authors: | Knott, G.J, Bond, C.S. | Deposit date: | 2016-02-26 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A crystallographic study of human NONO (p54(nrb)): overcoming pathological problems with purification, data collection and noncrystallographic symmetry. Acta Crystallogr D Struct Biol, 72, 2016
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6KQC
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6KRK
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