7AEP
 
 | | Solution structure of U1-A RRM2 (190-282) | | Descriptor: | U1 small nuclear ribonucleoprotein A | | Authors: | Campagne, S, Allain, F.H. | | Deposit date: | 2020-09-18 | | Release date: | 2021-02-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | An in vitro reconstituted U1 snRNP allows the study of the disordered regions of the particle and the interactions with proteins and ligands.
Nucleic Acids Res., 49, 2021
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6CJY
 | | Crystal Structure of Mnk2-D228G in complex with Inhibitor | | Descriptor: | 5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | Authors: | Han, Q. | | Deposit date: | 2018-02-27 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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5ZN1
 | | X-ray structure of protein kinase ck2 alpha subunit in D2O | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | | Deposit date: | 2018-04-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
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6MCX
 | | INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) RECOMBINANT HEAD DOMAIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J. | | Deposit date: | 2018-09-02 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
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6CK3
 | | Co-crytsal Structure of MNK2 in Complex With an Inhibitor | | Descriptor: | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ... | | Authors: | Han, Q. | | Deposit date: | 2018-02-27 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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5ZN5
 | | X-ray structure of protein kinase ck2 alpha subunit H148A mutant | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | | Deposit date: | 2018-04-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
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4MNX
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811 | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7BGX
 | | Mutant F105L of recombinant beta-lactoglobulin | | Descriptor: | Beta-lactoglobulin, GLYCEROL, SULFATE ION | | Authors: | Loch, J.I, Wrobel, P, Lewinski, K. | | Deposit date: | 2021-01-08 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
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7BTE
 | | Lifeact-F-actin complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Kumari, A, Ragunath, V.K, Sirajuddin, M. | | Deposit date: | 2020-04-01 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural insights into actin filament recognition by commonly used cellular actin markers.
Embo J., 39, 2020
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7LCM
 | | Receiver Domain of RssB bound to beryllofluoride | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Regulator of RpoS | | Authors: | Deaconescu, A.M, Schwartz, J, Son, J. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB.
Protein Sci., 30, 2021
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7M0K
 | | HPK1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Lesburg, C.A. | | Deposit date: | 2021-03-11 | | Release date: | 2021-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
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4MPX
 | | Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, SULFATE ION, ... | | Authors: | White, A, Stein, A.J, Suto, R. | | Deposit date: | 2013-09-13 | | Release date: | 2015-03-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Target-directed self-assembly of homodimeric drugs
To be Published
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7L9C
 | | Receiver Domain of RssB | | Descriptor: | Regulator of RpoS | | Authors: | Deaconescu, A.M, Son, J, Schwartz, J. | | Deposit date: | 2021-01-03 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB.
Protein Sci., 30, 2021
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5WNK
 | | Crystal structure of murine receptor-interacting protein 4 (Ripk4) D143N bound to TG100-115 | | Descriptor: | 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol, CHLORIDE ION, Receptor-interacting serine/threonine-protein kinase 4 | | Authors: | Huang, C.S, Hymowitz, S.G. | | Deposit date: | 2017-08-01 | | Release date: | 2018-05-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
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7BPR
 | | Crystal structure of human TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101 | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2020-12-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
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7M0M
 | | HPK1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Lesburg, C.A. | | Deposit date: | 2021-03-11 | | Release date: | 2021-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
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5WHB
 | | KRas G12V, bound to GDP and miniprotein 225-11(A30R) | | Descriptor: | CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L. | | Deposit date: | 2017-07-16 | | Release date: | 2018-01-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
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5Z25
 | | Trimeric Alpha-Helix-Inserted Circular Permutant of Cytochrome c555 | | Descriptor: | Cytochrome c552, HEME C, TETRAETHYLENE GLYCOL | | Authors: | Oda, A, Nagao, S, Yamanaka, M, Ueda, I, Shibata, N, Higuchi, Y, Hirota, S. | | Deposit date: | 2017-12-28 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Construction of a Triangle-Shaped Trimer and a Tetrahedron Using an alpha-Helix-Inserted Circular Permutant of Cytochrome c555.
Chem Asian J, 13, 2018
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5ZIS
 | | Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX | | Authors: | Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. | | Deposit date: | 2018-03-17 | | Release date: | 2018-08-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A.
Chem. Commun. (Camb.), 54, 2018
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6M9F
 | | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Tyrostatin | | Descriptor: | CALCIUM ION, SEDOLISIN, SULFATE ION, ... | | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | | Deposit date: | 2018-08-23 | | Release date: | 2018-10-24 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
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7BS8
 | | Bovine Pancreatic Trypsin with Benzamidine (Cryo) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | | Deposit date: | 2020-03-30 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
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7LHN
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7M0L
 | | HPK1 IN COMPLEX WITH COMPOUND 1 | | Descriptor: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Lesburg, C.A. | | Deposit date: | 2021-03-11 | | Release date: | 2021-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
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6E03
 | | sperm whale myoglobin nitrosoethane adduct | | Descriptor: | CHLORIDE ION, Myoglobin, NITROSOETHANE, ... | | Authors: | Herrera, V.E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
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7LHM
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