8DIB
 
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5KQN
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5ILE
 | | H64A sperm whale myoglobin with a Fe-tolyl moiety | | Descriptor: | Myoglobin, SULFATE ION, [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron | | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2016-03-03 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
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7PCJ
 | | X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex | | Descriptor: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A
To Be Published
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6S9L
 | | Designed Armadillo Repeat protein Lock1 bound to (KR)4KLSF target | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, KR4KLSF Lock1, LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG-LYS-LEU-SER-PHE | | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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6V9Z
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7PQ4
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8P8F
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7KKL
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-11 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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5ELD
 | | Cholera toxin classical B-pentamer in complex with A Lewis-y | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cholera enterotoxin B subunit, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | Descriptor: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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8POH
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5I9W
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with ANP | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.359 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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5IA5
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with golvatinib (E7050) | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, golvatinib | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.776 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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8PRN
 | | E1M, K50A, R52A, D97A, E99A MUTANT OF RH. BLASTICA PORIN | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PORIN | | Authors: | Maveyraud, L, Schmid, B, Schulz, G.E. | | Deposit date: | 1998-06-12 | | Release date: | 1998-08-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Porin mutants with new channel properties.
Protein Sci., 7, 1998
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8HXN
 | | Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ETHANOL, ... | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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5KPU
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5EIX
 | | QUINOLONE-STABILIZED CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM KLEBSIELLA PNEUMONIAE | | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ... | | Authors: | Veselkov, D.A, Laponogov, I, Pan, X.-S, Selvarajah, J, Branstrom, A, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-10-30 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr D Struct Biol, 72, 2016
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7TBJ
 | | Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC | | Descriptor: | NUP107 CTD, NUP107 NTD, NUP133, ... | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-22 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7TBL
 | | Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC | | Descriptor: | DDX19, ELYS, GLE1, ... | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-22 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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7TC6
 | | All Phe-Azurin variant - F15W | | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION | | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins.
Inorg.Chem., 61, 2022
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7ZLO
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12 | | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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5ILP
 | | H64Q sperm whale myoglobin with a Fe-tolyl moiety | | Descriptor: | GLYCEROL, Myoglobin, SULFATE ION, ... | | Authors: | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2016-03-04 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
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7ZLN
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11 | | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7AVV
 | | Crystal structure of SOS1 in complex with compound 9 | | Descriptor: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-11-06 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS.
J.Med.Chem., 64, 2021
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