6YDI
 
 | | XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferrous state | | Descriptor: | FE (II) ION, GLYCEROL, Methane monooxygenase, ... | | Authors: | Srinivas, V, Hogbom, M. | | Deposit date: | 2020-03-20 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
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5GO2
 | | Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Citrate | | Descriptor: | CITRIC ACID, Protein AroA(G), SULFATE ION | | Authors: | Pratap, S, Dev, A, Sharma, V, Yadav, R, Narwal, M, Tomar, S, Kumar, P. | | Deposit date: | 2016-07-26 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.907 Å) | | Cite: | Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
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2ZZ1
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2ZZ2
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6YFA
 | | Virus-like particle of bacteriophage AVE015 | | Descriptor: | CALCIUM ION, coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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5H4J
 | | Crystal structure of Human dUTPase in complex with N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide | | Descriptor: | DIMETHYL SULFOXIDE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ... | | Authors: | Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M. | | Deposit date: | 2016-11-01 | | Release date: | 2017-11-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | TAS-114, a First-in-Class Dual dUTPase/DPD Inhibitor, Demonstrates Potential to Improve Therapeutic Efficacy of Fluoropyrimidine-Based Chemotherapy.
Mol. Cancer Ther., 17, 2018
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6H8T
 | | Crystal structure of Papain modify by achiral Ru(II)complex | | Descriptor: | ACETATE ION, CHLORIDE ION, Papain, ... | | Authors: | Cherrier, M.V, Amara, P, Talbi, B, Salmin, M, Fontecilla-Camps, J.C. | | Deposit date: | 2018-08-03 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic evidence for unexpected selective tyrosine hydroxylations in an aerated achiral Ru-papain conjugate.
Metallomics, 10, 2018
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7SCB
 | | B-cylinder of Synechocystis PCC 6803 Phycobilisome, complex with OCP - local refinement | | Descriptor: | Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ... | | Authors: | Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A. | | Deposit date: | 2021-09-27 | | Release date: | 2022-08-31 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
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5GTC
 | | Crystal structure of complex between DMAP-SH conjugated with a Kaposi's sarcoma herpesvirus LANA peptide (5-15) and nucleosome core particle | | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ... | | Authors: | Arimura, Y, Kato, D, Suto, H, Kurumizaka, H, Kawashima, S.A, Yamatsugu, K, Kanai, M. | | Deposit date: | 2016-08-19 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthetic Posttranslational Modifications: Chemical Catalyst-Driven Regioselective Histone Acylation of Native Chromatin.
J. Am. Chem. Soc., 139, 2017
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7SC8
 | | Synechocystis PCC 6803 Phycobilisome rod from PBS sample | | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ... | | Authors: | Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A. | | Deposit date: | 2021-09-27 | | Release date: | 2022-08-31 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
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5JU7
 | | DNA BINDING DOMAIN OF E.COLI CADC | | Descriptor: | Transcriptional activator CadC, ZINC ION | | Authors: | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | | Deposit date: | 2016-05-10 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-function analysis of the DNA-binding domain of a transmembrane transcriptional activator.
Sci Rep, 7, 2017
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6YFN
 | | Virus-like particle of bacteriophage ESE058 | | Descriptor: | CALCIUM ION, coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.189 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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7SCA
 | | Synechocystis PCC 6803 Phycobilisome rod from OCP-PBS complex sample | | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ... | | Authors: | Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A. | | Deposit date: | 2021-09-27 | | Release date: | 2022-08-31 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
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7SC7
 | | Synechocystis PCC 6803 Phycobilisome core from up-down rod conformation | | Descriptor: | Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ... | | Authors: | Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A. | | Deposit date: | 2021-09-27 | | Release date: | 2022-08-31 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
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5K0K
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | | Descriptor: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | | Deposit date: | 2016-05-17 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
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7SC9
 | | Synechocystis PCC 6803 Phycobilisome core, complex with OCP | | Descriptor: | Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ... | | Authors: | Sauer, P.V, Sutter, M, Dominguez-Martin, M.A, Kirst, H, Kerfeld, C.A. | | Deposit date: | 2021-09-27 | | Release date: | 2022-08-31 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structures of a phycobilisome in light-harvesting and photoprotected states.
Nature, 609, 2022
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8K9K
 | | Full agonist-bound mu-type opioid receptor-G protein complex | | Descriptor: | DAMGO, G protein subunit alpha i3, Guanine nucleotide binding protein, ... | | Authors: | Hisano, T, Uchikubo-Kamo, T, Shirouzu, M, Imai, S, Kaneko, S, Shimada, I. | | Deposit date: | 2023-08-01 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural and dynamic insights into the activation of the mu-opioid receptor by an allosteric modulator.
Nat Commun, 15, 2024
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6YNB
 | | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with short-chain Fasudil-derivative N-(2-aminoethyl)isoquinoline-5-sulfonamide (soaked) | | Descriptor: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2020-04-13 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
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5K0X
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | | Deposit date: | 2016-05-17 | | Release date: | 2017-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12, 2017
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5G47
 | | Structure of Gc glycoprotein from severe fever with thrombocytopenia syndrome virus in the trimeric postfusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SFTSV GC | | Authors: | Halldorsson, S, Behrens, A.J, Harlos, K, Huiskonen, J.T, Elliott, R.M, Crispin, M, Brennan, B, Bowden, T.A. | | Deposit date: | 2016-05-05 | | Release date: | 2016-07-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of a Phleboviral Envelope Glycoprotein Reveals a Consolidated Model of Membrane Fusion.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6YNR
 | | Crystal structure of the cAMP-dependent protein kinase A in complex with 1,7-Naphthyridin-8-amine (soaked) and PKI (5-24) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Oebbeke, M, Heine, A, Klebe, G. | | Deposit date: | 2020-04-14 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
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5JUG
 | | Structure of an inactive (E45Q) variant of a beta-1,4-mannanase, SsGH134, in complex with Man5 | | Descriptor: | CHLORIDE ION, GLYCEROL, alpha-D-mannopyranose, ... | | Authors: | Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | | Deposit date: | 2016-05-10 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
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8K9L
 | | Full agonist- and positive allosteric modulator-bound mu-type opioid receptor-G protein complex | | Descriptor: | (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine, DAMGO, G protein subunit alpha i3, ... | | Authors: | Hisano, T, Uchikubo-Kamo, T, Shirouzu, M, Imai, S, Kaneko, S, Shimada, I. | | Deposit date: | 2023-08-01 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural and dynamic insights into the activation of the mu-opioid receptor by an allosteric modulator.
Nat Commun, 15, 2024
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4NGL
 | | Previously de-ionized HEW lysozyme batch crystallized in 0.6 M CoCl2 | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Lysozyme C | | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | | Deposit date: | 2013-11-02 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
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7SJO
 | | HtrA1S328A:Fab15H6.v4 complex | | Descriptor: | Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 | | Authors: | Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. | | Deposit date: | 2021-10-18 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
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