6LS4
 
 | | A novel anti-tumor agent S-40 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | Deposit date: | 2020-01-17 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
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6LS8
 | | The monomeric structure of G80A/H81A/H82A myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagao, S, Suda, A, Kobayashi, H, Shibata, N, Higuchi, Y, Hirota, S. | | Deposit date: | 2020-01-17 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Thermodynamic Control of Domain Swapping by Modulating the Helical Propensity in the Hinge Region of Myoglobin.
Chem Asian J, 15, 2020
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6M49
 | | cryo-EM structure of Scap/Insig complex in the present of 25-hydroxyl cholesterol. | | Descriptor: | 25-HYDROXYCHOLESTEROL, Insulin-induced gene 2 protein, Sterol regulatory element-binding protein cleavage-activating protein,Sterol regulatory element-binding protein cleavage-activating protein | | Authors: | Yan, R, Cao, P, Song, W, Qian, H, Du, X, Coates, H.W, Zhao, X, Li, Y, Gao, S, Gong, X, Liu, X, Sui, J, Lei, J, Yang, H, Brown, A.J, Zhou, Q, Yan, C, Yan, N. | | Deposit date: | 2020-03-06 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A structure of human Scap bound to Insig-2 suggests how their interaction is regulated by sterols.
Science, 371, 2021
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6M5U
 | | The coordinates of the monomeric terminase complex in the presence of the ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Yang, Y.X, Yang, P, Wang, N, Zhu, L, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
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6M5S
 | | The coordinates of the apo hexameric terminase complex | | Descriptor: | Tripartite terminase subunit 1, Tripartite terminase subunit 2, Tripartite terminase subunit 3, ... | | Authors: | Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
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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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6ME0
 | | Structure of a group II intron retroelement prior to DNA integration | | Descriptor: | MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ... | | Authors: | Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N. | | Deposit date: | 2018-09-05 | | Release date: | 2019-08-14 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA.
Cell, 178, 2019
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6LK7
 | | crystal structure of Os1348 from Pseudomonas sp. Os17 | | Descriptor: | Nitrile hydratase, alpha chain | | Authors: | Takeuchi, K, Tsuchiya, W, Fujimoto, Z, Yamada, K, Someya, N, Yamazaki, T. | | Deposit date: | 2019-12-18 | | Release date: | 2020-11-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Discovery of an Antibiotic-Related Small Protein of Biocontrol Strain Pseudomonas sp. Os17 by a Genome-Mining Strategy.
Front Microbiol, 11, 2020
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5JX8
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1J26
 | | Solution structure of a putative peptidyl-tRNA hydrolase domain in a mouse hypothetical protein | | Descriptor: | immature colon carcinoma transcript 1 | | Authors: | Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-12-25 | | Release date: | 2004-06-01 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the catalytic domain of the mitochondrial protein ICT1 that is essential for cell vitality
J.Mol.Biol., 2010
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6M3X
 | | Cryo-EM structure of sulfur oxygenase reductase from Sulfurisphaera tokodaii | | Descriptor: | FE (III) ION, Sulfur oxygenase/reductase | | Authors: | Sato, Y, Adachi, N, Moriya, T, Arakawa, T, Kawasaki, M, Yamada, C, Senda, T, Fushinobu, S. | | Deposit date: | 2020-03-04 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | Crystallographic and cryogenic electron microscopic structures and enzymatic characterization of sulfur oxygenase reductase fromSulfurisphaera tokodaii.
J Struct Biol X, 4, 2020
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6M9Z
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6MBN
 | | LptB E163Q in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ... | | Authors: | Owens, T.W, Ruiz, N, Kahne, D. | | Deposit date: | 2018-08-30 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.957 Å) | | Cite: | Combining Mutations That Inhibit Two Distinct Steps of the ATP Hydrolysis Cycle Restores Wild-Type Function in the Lipopolysaccharide Transporter and Shows that ATP Binding Triggers Transport.
Mbio, 10, 2019
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6M5T
 | | The coordinate of the nuclease domain of the apo terminase complex | | Descriptor: | Tripartite terminase subunit 3 | | Authors: | Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
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6LLA
 | | Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+ and NAD | | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Neetu, N, Katiki, M, Kumar, P. | | Deposit date: | 2019-12-22 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway.
J.Bacteriol., 202, 2020
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6LTM
 | | The dimeric structure of G80A/H81A/H82A myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nagao, S, Suda, A, Kobayashi, H, Shibata, N, Higuchi, Y, Hirota, S. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Thermodynamic Control of Domain Swapping by Modulating the Helical Propensity in the Hinge Region of Myoglobin.
Chem Asian J, 15, 2020
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8RIJ
 | | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | | Deposit date: | 2023-12-18 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor.
J.Med.Chem., 67, 2024
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6M0W
 | | Crystal structure of Streptococcus thermophilus Cas9 in complex with the AGAA PAM | | Descriptor: | CRISPR-associated endonuclease Cas9 1, DNA (28-MER), DNA (5'-D(*AP*AP*AP*GP*AP*AP*GP*C)-3'), ... | | Authors: | Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q. | | Deposit date: | 2020-02-23 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
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5JX3
 | | Wild type D4 in orthorhombic space group | | Descriptor: | CHLORIDE ION, GLYCEROL, Uracil-DNA glycosylase | | Authors: | Schormann, N, Chattopadhyay, D. | | Deposit date: | 2016-05-12 | | Release date: | 2016-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Poxvirus uracil-DNA glycosylase-An unusual member of the family I uracil-DNA glycosylases.
Protein Sci., 25, 2016
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6M7L
 | | Complex of OxyA with the X-domain from GPA biosynthesis | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase | | Authors: | Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J. | | Deposit date: | 2018-08-20 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.648297 Å) | | Cite: | Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
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6M7E
 | | Structure of bovine lactoperoxidase with multiple iodide ions in the distaline heme cavity. | | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Maurya, A, Viswanathan, V, Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structure of bovine lactoperoxidase with multiple iodide ions in the distaline heme cavity.
To Be Published
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6MEB
 | | Crystal structure of Tylonycteris bat coronavirus HKU4 macrodomain in complex with nicotinamide adenine dinucleotide (NAD+) | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Replicase polyprotein 1ab | | Authors: | Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A. | | Deposit date: | 2018-09-06 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
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6M5D
 | | Human serum albumin (apo form) | | Descriptor: | PHOSPHATE ION, Serum albumin | | Authors: | Ito, S, Senoo, A, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Wakui, N. | | Deposit date: | 2020-03-10 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin.
J.Med.Chem., 63, 2020
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6M5R
 | | The coordinates of the apo monomeric terminase complex | | Descriptor: | Tripartite terminase subunit 1, Tripartite terminase subunit 2, Tripartite terminase subunit 3, ... | | Authors: | Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
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