7NY8
 
 | | Affimer K69 - KRAS protein complex | | Descriptor: | Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | | Deposit date: | 2021-03-21 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
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6CD6
 | | Crystal Structure of the Human CAMKK1A in complex with GSK650394 | | Descriptor: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 1 | | Authors: | Santiago, A.S, Counago, R.M, Righetto, G.L, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-08 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Human CAMKK1A in complex with GSK650394
To be Published
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7V9U
 | | Cryo-EM structure of E.coli retron-Ec86 (RT-msDNA-RNA) at 3.2 angstrom | | Descriptor: | DNA (105-MER), RNA (5'-R(P*CP*GP*UP*AP*AP*GP*GP*G)-3'), RNA (81-MER), ... | | Authors: | Wang, Y.J, Guan, Z.Y, Zou, T.T. | | Deposit date: | 2021-08-26 | | Release date: | 2022-08-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
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5IZB
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5J6Z
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7V9X
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6LT5
 | | Lysozyme protected by alginate gel | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Tomoike, F, Morita, S, Nagae, T, Okada, T. | | Deposit date: | 2020-01-21 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Post-crystallization protection of protein crystals
To Be Published
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6CE2
 | | Crystal structure of Myotoxin I (MjTX-I) from Bothrops moojeni complexed to inhibitor suramin | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 1 | | Authors: | Salvador, G.H.M, Fontes, M.R.M. | | Deposit date: | 2018-02-10 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and functional characterization of suramin-bound MjTX-I from Bothrops moojeni suggests a particular myotoxic mechanism.
Sci Rep, 8, 2018
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8DJD
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8DJE
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | | Descriptor: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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8OIL
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8DJC
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | | Descriptor: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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7VB1
 | | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with trans-vaccenic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-08-30 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with trans-vaccenic acid
To Be Published
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8OZ3
 | | Crystal structure of scFv ATOR 1017 bound to human 4-1BB | | Descriptor: | Single chain Fv, Tumor necrosis factor receptor superfamily member 9 | | Authors: | Hakansson, M, Von Schantz, L, Rose, N. | | Deposit date: | 2023-05-08 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
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7OCM
 | | K1K1H6, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain | | Authors: | de Jonge, H, de Nola, G, Gherardi, E. | | Deposit date: | 2021-04-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist.
Life Sci Alliance, 5, 2022
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5JOM
 | | X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D. | | Deposit date: | 2016-05-02 | | Release date: | 2016-08-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
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8D7E
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6LXK
 | | Crystal structure of Z2B3 D102R Fab in complex with influenza virus neuraminidase from A/Serbia/NS-601/2014 (H1N1) | | Descriptor: | CALCIUM ION, Heavy chain of Z2B3-D102R Fab, Light chain of Z2B3-D102R Fab, ... | | Authors: | Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. | | Deposit date: | 2020-02-11 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.608 Å) | | Cite: | Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus.
Mbio, 11, 2020
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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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7OCL
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8CUR
 | | Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid | | Descriptor: | 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2 | | Authors: | Tripathi, S.M, Tambo, C.S, Kiss, G, Rubin, S.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics.
Acs Chem.Biol., 18, 2023
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6M4Q
 | | Cytochrome P450 monooxygenase StvP2 substrate-free structure | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | | Deposit date: | 2020-03-08 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
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7VDN
 | | High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y. | | Deposit date: | 2021-09-07 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | X-ray fluorescence holography of biological metal sites: Application to myoglobin.
Biochem.Biophys.Res.Commun., 635, 2022
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8P4J
 | | Alpha-1-antitrypsin - Sydney variant (G192C) | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Kamuda, K, Lomas, D.A, Irving, J.A. | | Deposit date: | 2023-05-22 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate.
Febs J., 291, 2024
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6M8F
 | | Engineered sperm whale myoglobin-based carbene transferase | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Bacik, J.P, Ando, N, Fasan, R. | | Deposit date: | 2018-08-21 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Origin of high stereocontrol in olefin cyclopropanation catalyzed by an engineered carbene transferase.
Acs Catalysis, 9, 2019
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