7S4Z
 
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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7S4Y
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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7S4W
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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7S4R
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - alpha Spectrin-SH3 domain | | Descriptor: | Spectrin alpha chain, non-erythrocytic 1 | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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7S4N
 | | Crystal structure of the tick evasin EVA-P974 complexed to human chemokine CCL17 | | Descriptor: | C-C motif chemokine 17, Evasin P974 | | Authors: | Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2021-09-09 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7PO2
 | | Initiation complex of human mitochondrial ribosome small subunit with IF2, fMet-tRNAMet and mRNA | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7S3T
 | | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2021-09-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
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7S47
 | | Integrin beta5(743-774)-linker-PAK4cat(D440N/S474E) | | Descriptor: | Integrin beta-5, Isoform 2 of Serine/threonine-protein kinase PAK 4 chimera, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Ha, B.H, Boggon, T.J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for integrin adhesion receptor binding to p21-activated kinase 4 (PAK4)
Commun Biol, 5, 2022
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7S48
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7S46
 | | PAK4cat (D440N/S474E) in complex with Integrin beta5 760-770 peptide | | Descriptor: | Integrin beta-5, Isoform 2 of Serine/threonine-protein kinase PAK 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Ha, B.H, Boggon, T.J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis for integrin adhesion receptor binding to p21-activated kinase 4 (PAK4)
Commun Biol, 5, 2022
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7VEI
 | | Neutron structure of D2O-solvent lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | Deposit date: | 2021-09-08 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7VE6
 | | N-terminal domain of VraR | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator protein VraR | | Authors: | Kumar, J.V, Chen, C, Hsu, C.H. | | Deposit date: | 2021-09-08 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus.
Protein Sci., 31, 2022
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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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7PNS
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | Deposit date: | 2021-09-07 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PNJ
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7PNR
 | | Human Angiogenin mutant-S28AT36AS37A | | Descriptor: | Angiogenin | | Authors: | Papaioannou, O.S.E, Leonidas, D.D. | | Deposit date: | 2021-09-07 | | Release date: | 2021-09-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 62, 2023
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7PNI
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7PNH
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7PNP
 | | Human Angiogenin mutant-S28A | | Descriptor: | Angiogenin | | Authors: | Papaioannou, O.S.E, Leonidas, D.D. | | Deposit date: | 2021-09-07 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 2023
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7S3I
 | | Ex4-D-Ala bound to the glucagon-like peptide-1 receptor/g protein complex (conformer 2) | | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Belousoff, M.J, Piper, S.J, Danev, R. | | Deposit date: | 2021-09-07 | | Release date: | 2022-01-05 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.51 Å) | | Cite: | Structural and functional diversity among agonist-bound states of the GLP-1 receptor.
Nat.Chem.Biol., 18, 2022
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7VDM
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with substance P | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-09-07 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VDL
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7VDH
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, state2 | | Descriptor: | 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-09-07 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VDQ
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 | | Descriptor: | 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7VDS
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 | | Descriptor: | 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ... | | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | Deposit date: | 2021-09-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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