7S4Z
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![BU of 7s4z by Molmil](/molmil-images/mine/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
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![BU of 7s4y by Molmil](/molmil-images/mine/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
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![BU of 7s4w by Molmil](/molmil-images/mine/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
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![BU of 7s4r by Molmil](/molmil-images/mine/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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7S4T
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![BU of 7s4t by Molmil](/molmil-images/mine/7s4t) | Crystal structure of CDK2 liganded with compound EF2252 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-09 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
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7POI
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![BU of 7poi by Molmil](/molmil-images/mine/7poi) | Prodomain bound BMP10 crystal form 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID | Authors: | Guo, J, Yu, M, Li, W. | Deposit date: | 2021-09-09 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10. Nat Commun, 13, 2022
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7POJ
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![BU of 7poj by Molmil](/molmil-images/mine/7poj) | Prodomain bound BMP10 crystal form 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL | Authors: | Guo, J, Yu, M, Li, W. | Deposit date: | 2021-09-09 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10. Nat Commun, 13, 2022
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7S4N
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![BU of 7s4n by Molmil](/molmil-images/mine/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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7VEI
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![BU of 7vei by Molmil](/molmil-images/mine/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
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![BU of 7ve6 by Molmil](/molmil-images/mine/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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7S3T
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![BU of 7s3t by Molmil](/molmil-images/mine/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
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![BU of 7s47 by Molmil](/molmil-images/mine/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
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![BU of 7s46 by Molmil](/molmil-images/mine/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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7PO2
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![BU of 7po2 by Molmil](/molmil-images/mine/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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7VDV
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![BU of 7vdv by Molmil](/molmil-images/mine/7vdv) | The overall structure of human chromatin remodeling PBAF-nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2,AT-rich interactive domain-containing protein 2, Actin, ... | Authors: | Chen, Z.C, Chen, K.J, Yuan, J.J. | Deposit date: | 2021-09-07 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of human chromatin-remodelling PBAF complex bound to a nucleosome. Nature, 605, 2022
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7PNJ
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7PNR
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![BU of 7pnr by Molmil](/molmil-images/mine/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
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![BU of 7pnp by Molmil](/molmil-images/mine/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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7PNS
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![BU of 7pns by Molmil](/molmil-images/mine/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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7VDQ
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![BU of 7vdq by Molmil](/molmil-images/mine/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
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![BU of 7vds by Molmil](/molmil-images/mine/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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7VDR
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![BU of 7vdr by Molmil](/molmil-images/mine/7vdr) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 | Descriptor: | (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ... | 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 (2.55 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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