4YWH
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![BU of 4ywh by Molmil](/molmil-images/mine/4ywh) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE | Descriptor: | ABC TRANSPORTER SOLUTE BINDING PROTEIN, beta-D-xylopyranose | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-20 | Release date: | 2015-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE To be published
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7QQY
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![BU of 7qqy by Molmil](/molmil-images/mine/7qqy) | yeast Gid10 bound to Art2 Pro/N-degron | Descriptor: | CHLORIDE ION, ECM21, Uncharacterized protein YGR066C | Authors: | Chrustowicz, J, Sherpa, D, Schulman, B.A. | Deposit date: | 2022-01-10 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | A GID E3 ligase assembly ubiquitinates an Rsp5 E3 adaptor and regulates plasma membrane transporters. Embo Rep., 23, 2022
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4YN2
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![BU of 4yn2 by Molmil](/molmil-images/mine/4yn2) | THE ATOMIC STRUCTURE OF WISEANA SPP ENTOMOPOXVIRUS (WSEPV) FUSOLIN SPINDLES | Descriptor: | 1,2-ETHANEDIOL, FUSOLIN, ZINC ION, ... | Authors: | Chiu, E, Bunker, R.D, Metcalf, P. | Deposit date: | 2015-03-09 | Release date: | 2015-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization. Proc.Natl.Acad.Sci.USA, 112, 2015
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7ODW
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![BU of 7odw by Molmil](/molmil-images/mine/7odw) | |
6N3O
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![BU of 6n3o by Molmil](/molmil-images/mine/6n3o) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | Deposit date: | 2018-11-15 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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7QCM
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![BU of 7qcm by Molmil](/molmil-images/mine/7qcm) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone, ... | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | Deposit date: | 2021-11-24 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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6N52
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![BU of 6n52 by Molmil](/molmil-images/mine/6n52) | Metabotropic Glutamate Receptor 5 Apo Form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5 | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
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7OJ4
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![BU of 7oj4 by Molmil](/molmil-images/mine/7oj4) | Crystal structure of apo NS3 helicase from tick-borne encephalitis virus | Descriptor: | NS3 helicase domain | Authors: | Anindita, P.D, Havlickova, P, Kascakova, B, Grinkevich, P, Brynda, J, Franta, Z. | Deposit date: | 2021-05-13 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase. J.Biol.Chem., 298, 2022
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6WYV
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![BU of 6wyv by Molmil](/molmil-images/mine/6wyv) | E. coli 50S ribosome bound to compounds 47 and VS1 | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2020-05-13 | Release date: | 2020-06-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6RCW
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![BU of 6rcw by Molmil](/molmil-images/mine/6rcw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2019-04-11 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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7NWR
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![BU of 7nwr by Molmil](/molmil-images/mine/7nwr) | Structure of BT1526, a myo-inositol-1-phosphate synthase | Descriptor: | Inositol-3-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Basle, A, Tang, G, Marles-Wright, J, Campopiano, D. | Deposit date: | 2021-03-17 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of inositol lipid metabolism in gut-associated Bacteroidetes. Nat Microbiol, 7, 2022
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6VHS
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![BU of 6vhs by Molmil](/molmil-images/mine/6vhs) | Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317 | Descriptor: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Sacco, M.D, Chen, Y. | Deposit date: | 2020-01-10 | Release date: | 2020-08-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases. J.Med.Chem., 63, 2020
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6PAR
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![BU of 6par by Molmil](/molmil-images/mine/6par) | |
8FNE
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![BU of 8fne by Molmil](/molmil-images/mine/8fne) | phiPA3 PhuN Tetramer, p2 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, PhuN | Authors: | Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A. | Deposit date: | 2022-12-27 | Release date: | 2023-03-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice. Nat Commun, 14, 2023
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8CUB
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6NDC
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7NUX
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![BU of 7nux by Molmil](/molmil-images/mine/7nux) | Crystal structure of the TIR domain of human TLR1 (crystallised without ZN2+ ions) | Descriptor: | Toll-like receptor 1 | Authors: | Vakhrameev, D.D, Luginina, A.P, Shevtsov, M.B, Lushpa, V.A, Mineev, K.S, Borshchevskiy, V.I. | Deposit date: | 2021-03-15 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions. Commun Biol, 4, 2021
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6NES
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![BU of 6nes by Molmil](/molmil-images/mine/6nes) | FAD-dependent monooxygenase TropB from T. stipitatus | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | Deposit date: | 2018-12-18 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
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7QPA
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![BU of 7qpa by Molmil](/molmil-images/mine/7qpa) | Outward-facing auxin bound form of auxin transporter PIN8 | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 8 | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | Deposit date: | 2022-01-03 | Release date: | 2022-07-06 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter. Nature, 609, 2022
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8CU6
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![BU of 8cu6 by Molmil](/molmil-images/mine/8cu6) | Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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7A22
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![BU of 7a22 by Molmil](/molmil-images/mine/7a22) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-15 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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6WRO
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![BU of 6wro by Molmil](/molmil-images/mine/6wro) | |
6NDF
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7A4B
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![BU of 7a4b by Molmil](/molmil-images/mine/7a4b) | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | Descriptor: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-19 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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7QP9
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![BU of 7qp9 by Molmil](/molmil-images/mine/7qp9) | Outward-facing apo-form of auxin transporter PIN8 | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Auxin efflux carrier component 8 | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | Deposit date: | 2022-01-03 | Release date: | 2022-07-06 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter. Nature, 609, 2022
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