6DAB
 
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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6DAL
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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6Z8M
 | | Structure of [NiFeSe] hydrogenase G491S variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491S-O2 | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2020-06-02 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
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6YV9
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3GKO
 | | Crystal structure of urate oxydase using surfactant Poloxamer 188 as a New Crystallizing Agent | | Descriptor: | 8-AZAXANTHINE, POTASSIUM ION, Uricase | | Authors: | Delfosse, V, Giffard, M, Sciara, G, Bonnete, F, Mayer, C. | | Deposit date: | 2009-03-11 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Surfactant Poloxamer 188 as a New Crystallizing Agent for Urate Oxidase
Cryst.Growth Des., 9, 2009
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6ZB0
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6Z12
 | | Salmonella AcrB solubilised in the SMA copolymer | | Descriptor: | Efflux pump membrane transporter | | Authors: | Muench, s.p, Johnson, R.M. | | Deposit date: | 2020-05-11 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-EM Structure and Molecular Dynamics Analysis of the Fluoroquinolone Resistant Mutant of the AcrB Transporter fromSalmonella.
Microorganisms, 8, 2020
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6Z1G
 | | CryoEM structure of the interaction between Rubisco Activase small-subunit-like (SSUL) domain with Rubisco from Nostoc sp. (strain PCC7120) | | Descriptor: | Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain, Ribulose bisphosphate carboxylase/oxygenase activase | | Authors: | Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2020-05-13 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
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6Z1Q
 | | MAP3K14 (NIK) in complex with DesF-3R/4076 | | Descriptor: | DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14 | | Authors: | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | | Deposit date: | 2020-05-14 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma
Future Drug Discov, 2, 2020
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6ZCI
 | | Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | | Descriptor: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | | Authors: | Faller, M. | | Deposit date: | 2020-06-11 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.976 Å) | | Cite: | BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
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6ZD0
 | | Disulfide-locked early prepore intermedilysin-CD59 | | Descriptor: | CD59 glycoprotein, Thiol-activated cytolysin | | Authors: | Shah, N.R, Bubeck, D. | | Deposit date: | 2020-06-13 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis for tuning activity and membrane specificity of bacterial cytolysins.
Nat Commun, 11, 2020
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6Z2N
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6Z31
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6ZEI
 | | Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) | | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | | Deposit date: | 2020-06-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
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6Z38
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6Z3H
 | | Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 2) | | Descriptor: | Growth/differentiation factor 5, RGM domain family member B | | Authors: | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | | Deposit date: | 2020-05-20 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.158 Å) | | Cite: | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7QDP
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8R5T
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6Z6Y
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6Z74
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6Z7U
 | | Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation | | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ewert, W, Preller, M. | | Deposit date: | 2020-06-01 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke.
Int J Mol Sci, 21, 2020
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6ZJ4
 | | apo-Trehalose transferase (apo-TreT) from Thermoproteus uzoniensis | | Descriptor: | THIOCYANATE ION, Trehalose phosphorylase/synthase | | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | Deposit date: | 2020-06-27 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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6Z8E
 | | Human Picobirnavirus Ht-CP VLP | | Descriptor: | Capsid protein precursor | | Authors: | Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R. | | Deposit date: | 2020-06-02 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
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6Z92
 | | [4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) solved by Fe-SAD phasing | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF523 domain-containing protein, ... | | Authors: | Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B. | | Deposit date: | 2020-06-03 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.067 Å) | | Cite: | Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7QFY
 | | Fusarium oxysporum M36 protease without the propeptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular metalloproteinase, ... | | Authors: | Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P. | | Deposit date: | 2021-12-07 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Fusarium oxysporum M36 protease without the propeptide
To Be Published
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