5F16
 
 | | CTA-modified hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | McGlone, C, Nix, J.C, Page, R.C. | | Deposit date: | 2015-11-30 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Investigating the Impact of Polymer Functional Groups on the Stability and Activity of Lysozyme-Polymer Conjugates.
Biomacromolecules, 17, 2016
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4RSQ
 | | 2.9A resolution structure of SRPN2 (K198C/E359C) from Anopheles gambiae | | Descriptor: | Serpin 2 | | Authors: | Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K. | | Deposit date: | 2014-11-10 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae.
J.Biol.Chem., 290, 2015
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6ZN0
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with isonicotinamidine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, ISONICOTINAMIDINE, ... | | Authors: | Oebbeke, M, Heine, A, Klebe, G. | | Deposit date: | 2020-07-06 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8A0D
 | | Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family | | Descriptor: | Allergen lipocalin Cav p 1 isoform 1 | | Authors: | Herman, R, Charlier, P, Janssen-Weets, B, Hilger, C, Swiontek, K. | | Deposit date: | 2022-05-27 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.685 Å) | | Cite: | Mammalian derived lipocalin and secretoglobin respiratory allergens strongly bind ligands with potentially immune modulating properties.
Front Allergy, 3, 2022
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4RUU
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6VLU
 | | Factor XIa in complex with compound 7 | | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide | | Authors: | Lesburg, C.A, Fradera, X. | | Deposit date: | 2020-01-27 | | Release date: | 2020-05-06 | | Last modified: | 2020-10-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
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7ZXK
 | | Human IL-27 in complex with neutralizing SRF388 FAb fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ... | | Authors: | Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N. | | Deposit date: | 2022-05-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
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4RXW
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5EVZ
 | | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ADP and inorganic phosphate | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. | | Deposit date: | 2015-11-20 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
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721P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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7ZG0
 | | Murine IL-27 in complex with IL-27Ra and a non-competing Nb | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 receptor subunit alpha, ... | | Authors: | Skladanowska, K, Bloch, Y, Savvides, S.N. | | Deposit date: | 2022-04-01 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
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7A1B
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-12 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.287 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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7A70
 | | HEW lysozyme in complex with Ti(OH)4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | | Authors: | Calderone, V, Gigli, L, Ravera, E, Luchinat, C. | | Deposit date: | 2020-08-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.
Biomolecules, 11, 2020
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5ET4
 | | Structure of RNase A-K7H/R10H in complex with 3'-CMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-3'-MONOPHOSPHATE, Ribonuclease pancreatic | | Authors: | Blanco, J.A, Salazar, V.A, Moussaoui, M, Boix, E. | | Deposit date: | 2015-11-17 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
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7A7D
 | | Cadherin fit into cryo-ET map | | Descriptor: | Desmocollin-2, Desmoglein-2 | | Authors: | Sikora, M, Ermel, U.H, Seybold, A, Kunz, M, Calloni, G, Reitz, J, Vabulas, R.M, Hummer, G, Frangakis, A.S. | | Deposit date: | 2020-08-28 | | Release date: | 2020-12-23 | | Method: | ELECTRON MICROSCOPY (26 Å) | | Cite: | Desmosome architecture derived from molecular dynamics simulations and cryo-electron tomography.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZZF
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6ZMU
 | | Crystal structure of the germline-specific thioredoxin protein Deadhead (Thioredoxin-1) from Drospohila melanogaster, P43212 | | Descriptor: | SODIUM ION, SULFATE ION, Thioredoxin-1 | | Authors: | Baginski, B, Pluta, R, Macias, M.J. | | Deposit date: | 2020-07-03 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins.
Iucrj, 8, 2021
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6ZMY
 | | Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in monoclinic form at 1.66 Angstrom resolution | | Descriptor: | Hemoglobin beta chain, Hemoglobin subunit alpha-A, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pandian, R, Shobana, N, Sundaresan, S.S, Thangaraj, V, Sayed, Y, Ponnuswamy, M.N. | | Deposit date: | 2020-07-04 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties.
Acta Crystallogr D Struct Biol, 77, 2021
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4RLN
 | | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with nXDS | | Descriptor: | Lysozyme C | | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | | Deposit date: | 2014-10-17 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams.
Acta Crystallogr.,Sect.D, 71, 2015
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8A2T
 | | Cryo-EM structure of F-actin in the Mg2+-ADP nucleotide state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | | Deposit date: | 2022-06-06 | | Release date: | 2022-08-10 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | Structural basis of actin filament assembly and aging.
Nature, 611, 2022
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4TJZ
 | | The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with capric acid | | Descriptor: | DECANOIC ACID, Fatty acid-binding protein, heart, ... | | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | | Deposit date: | 2014-05-25 | | Release date: | 2015-01-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
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8A2Z
 | | Cryo-EM structure of F-actin in the Ca2+-ADP nucleotide state. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | | Deposit date: | 2022-06-06 | | Release date: | 2022-08-10 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Structural basis of actin filament assembly and aging.
Nature, 611, 2022
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8A3Q
 | | Human Plasma Kallekrein in complex with 14W | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ... | | Authors: | McEwan, P.A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.
J.Med.Chem., 65, 2022
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7A21
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ... | | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2020-08-14 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153
To Be Published
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7A4U
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