7QIM
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![BU of 7qim by Molmil](/molmil-images/mine/7qim) | In situ structure of nebulin bound to actin filament in skeletal sarcomere | Descriptor: | ACTS protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, Z, Grange, M, Pospich, S, Wagner, T, Kho, A.L, Gautel, M, Raunser, S. | Deposit date: | 2021-12-15 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structures from intact myofibrils reveal mechanism of thin filament regulation through nebulin. Science, 375, 2022
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5TBO
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![BU of 5tbo by Molmil](/molmil-images/mine/5tbo) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M. | Deposit date: | 2016-09-12 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria. ACS Infect Dis, 2, 2016
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3O8I
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![BU of 3o8i by Molmil](/molmil-images/mine/3o8i) | Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment | Descriptor: | 14-3-3 binding site peptide of RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, 6,6-dihydroxy-1-methoxyhexan-2-one | Authors: | Ottmann, C, Rose, R, Kaiser, M, Kuhenne, P. | Deposit date: | 2010-08-03 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Impaired Binding of 14-3-3 to C-RAF in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling Mol.Cell.Biol., 30, 2010
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5TC4
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![BU of 5tc4 by Molmil](/molmil-images/mine/5tc4) | Crystal structure of human mitochondrial methylenetetrahydrofolate dehydrogenase-cyclohydrolase (MTHFD2) in complex with LY345899 and cofactors | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Gustafsson, R, Jemth, A.-S, Gustafsson Sheppard, N, Farnegardh, K, Loseva, O, Wiita, E, Bonagas, N, Dahllund, L, Llona-Minguez, S, Haggblad, M, Henriksson, M, Andersson, Y, Homan, E, Helleday, T, Stenmark, P. | Deposit date: | 2016-09-14 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal Structure of the Emerging Cancer Target MTHFD2 in Complex with a Substrate-Based Inhibitor. Cancer Res., 77, 2017
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6JNR
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![BU of 6jnr by Molmil](/molmil-images/mine/6jnr) | RXRa structure complexed with CU-6PMN and SRC1 peptide. | Descriptor: | 7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha | Authors: | Kawasaki, M, Nakano, S, Motoyama, T, Yamada, S, Watanabe, M, Takamura, Y, Fujihara, M, Tokiwa, H, Kakuta, H, Ito, S. | Deposit date: | 2019-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RXRa structure complexed with CU-6PMN and SRC1 peptide. To Be Published
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6JLO
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![BU of 6jlo by Molmil](/molmil-images/mine/6jlo) | XFEL structure of cyanobacterial photosystem II (2F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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6TDP
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![BU of 6tdp by Molmil](/molmil-images/mine/6tdp) | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GL dipeptide in the A pocket. | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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6TDR
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![BU of 6tdr by Molmil](/molmil-images/mine/6tdr) | Crystal structure of the disulfide engineered HLA-A0201 molecule devoid of peptide (annealed) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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1U8G
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![BU of 1u8g by Molmil](/molmil-images/mine/1u8g) | Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | Descriptor: | PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | Authors: | Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, R, Stouracova, R, Konvalinka, J, Sedlacek, J. | Deposit date: | 2004-08-06 | Release date: | 2004-11-02 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex. Acta Crystallogr.,Sect.D, 60, 2004
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3NYX
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![BU of 3nyx by Molmil](/molmil-images/mine/3nyx) | Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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7QAC
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![BU of 7qac by Molmil](/molmil-images/mine/7qac) | The T2 structure of polycrystalline cubic human insulin | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I. | Deposit date: | 2021-11-16 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | POWDER DIFFRACTION (2.29 Å) | Cite: | The T 2 structure of polycrystalline cubic human insulin. Acta Crystallogr D Struct Biol, 79, 2023
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5A4X
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![BU of 5a4x by Molmil](/molmil-images/mine/5a4x) | |
3O0U
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![BU of 3o0u by Molmil](/molmil-images/mine/3o0u) | |
8A8J
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![BU of 8a8j by Molmil](/molmil-images/mine/8a8j) | Complex of RecF and DNA from Thermus thermophilus. | Descriptor: | DNA replication and repair protein RecF, MAGNESIUM ION, Oligo1, ... | Authors: | Nirwal, S, Czarnocki-Cieciura, M, Chaudhary, A, Zajko, W, Skowronek, K, Chamera, S, Figiel, M, Nowotny, M. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of RecF-RecO-RecR cooperation in bacterial homologous recombination. Nat.Struct.Mol.Biol., 30, 2023
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6CCK
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![BU of 6cck by Molmil](/molmil-images/mine/6cck) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
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5GVO
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![BU of 5gvo by Molmil](/molmil-images/mine/5gvo) | Solution NMR structure of a new lasso peptide sphaericin | Descriptor: | Uncharacterized protein | Authors: | Hemmi, H, Kodani, S, Inoue, Y, Suzuki, M, Dohra, H, Suzuki, T, Ohnishi-Kameyama, M. | Deposit date: | 2016-09-06 | Release date: | 2017-04-05 | Method: | SOLUTION NMR | Cite: | Sphaericin, a Lasso Peptide from the Rare Actinomycete Planomonospora sphaerica Eur.J.Org.Chem., 2017
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2Y67
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![BU of 2y67 by Molmil](/molmil-images/mine/2y67) | New 5-Benzylidenethiazolidine-4-one Inhibitors of Bacterial MurD Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation | Descriptor: | (2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Zidar, N, Tomasic, T, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D. | Deposit date: | 2011-01-20 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | New 5-Benzylidenethiazolidin-4-One Inhibitors of Bacterial Murd Ligase: Design, Synthesis, Crystal Structures, and Biological Evaluation. Eur.J.Med.Chem, 46, 2011
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8A93
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![BU of 8a93 by Molmil](/molmil-images/mine/8a93) | Complex of RecF-RecR-DNA from Thermus thermophilus. | Descriptor: | DNA replication and repair protein RecF, MAGNESIUM ION, Oligo1, ... | Authors: | Nirwal, S, Czarnocki-Cieciura, M, Chaudhary, A, Zajko, W, Skowronek, K, Chamera, S, Figiel, M, Nowotny, M. | Deposit date: | 2022-06-27 | Release date: | 2023-04-26 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Mechanism of RecF-RecO-RecR cooperation in bacterial homologous recombination. Nat.Struct.Mol.Biol., 30, 2023
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1UGJ
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![BU of 1ugj by Molmil](/molmil-images/mine/1ugj) | Solution structure of a murine hypothetical protein from RIKEN cDNA 2310057J16 | Descriptor: | RIKEN cDNA 2310057J16 protein | Authors: | Nagashima, T, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-16 | Release date: | 2004-08-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a murine hypothetical protein from RIKEN cDNA 2310057J16 To be Published
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5GXG
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![BU of 5gxg by Molmil](/molmil-images/mine/5gxg) | High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M. | Deposit date: | 2016-09-17 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of productive and futile encounters in an electron transfer protein complex Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6BYX
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![BU of 6byx by Molmil](/molmil-images/mine/6byx) | Complex structure of LOR107 mutant (R259N) with tetrasaccharide substrate | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Ulaganathan, T, Cygler, M. | Deposit date: | 2017-12-21 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Structure-function analyses of a PL24 family ulvan lyase reveal key features and suggest its catalytic mechanism. J. Biol. Chem., 293, 2018
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6T1R
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![BU of 6t1r by Molmil](/molmil-images/mine/6t1r) | Pseudo-atomic model of a 16-mer assembly of reduced recombinant human alphaA-crystallin (non domain swapped configuration) | Descriptor: | Alpha-crystallin A chain | Authors: | Peters, C, Kaiser, C.J.O, Weinkauf, S, Zacharias, M, Buchner, J. | Deposit date: | 2019-10-05 | Release date: | 2019-12-11 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | The structure and oxidation of the eye lens chaperone alpha A-crystallin. Nat.Struct.Mol.Biol., 26, 2019
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5CCG
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![BU of 5ccg by Molmil](/molmil-images/mine/5ccg) | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Zhou, Q, Zhao, M, Lyubimov, A.Y, Uervirojnangkoorn, M, Zeldin, O.B, Weis, W.I, Brunger, A.T. | Deposit date: | 2015-07-02 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis. Nature, 525, 2015
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6FEX
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![BU of 6fex by Molmil](/molmil-images/mine/6fex) | DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4% | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ... | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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5CFH
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![BU of 5cfh by Molmil](/molmil-images/mine/5cfh) | |