8DOY
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![BU of 8doy by Molmil](/molmil-images/mine/8doy) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-14 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Potent and biostable inhibitors of the main protease of SARS-CoV-2. Iscience, 25, 2022
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1ITY
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![BU of 1ity by Molmil](/molmil-images/mine/1ity) | Solution structure of the DNA binding domain of human TRF1 | Descriptor: | TRF1 | Authors: | Nishikawa, T, Okamura, H, Nagadoi, A, Konig, P, Rhodes, D, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-02-15 | Release date: | 2002-03-06 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a telomeric DNA complex of human TRF1 Structure, 9, 2001
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7TL7
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![BU of 7tl7 by Molmil](/molmil-images/mine/7tl7) | 1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases. Acs Chem.Biol., 17, 2022
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7TL8
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![BU of 7tl8 by Molmil](/molmil-images/mine/7tl8) | 1.95A resolution structure of independent phosphoglycerate mutase from S. aureus in complex with a macrocyclic peptide inhibitor (Sa-D3) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION, Peptide Sa-D3 | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases. Acs Chem.Biol., 17, 2022
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5AZ2
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![BU of 5az2 by Molmil](/molmil-images/mine/5az2) | Crystal structure of the Fab fragment of 9E5, a murine monoclonal antibody specific for human epiregulin | Descriptor: | anti-human epiregulin antibody 9E5 Fab heavy chain, anti-human epiregulin antibody 9E5 Fab light chain | Authors: | Kado, Y, Mizohata, E, Nagatoishi, S, Iijima, M, Shinoda, K, Miyafusa, T, Nakayama, T, Yoshizumi, T, Sugiyama, A, Kawamura, T, Lee, Y.H, Matsumura, H, Doi, H, Fujitani, H, Kodama, T, Shibasaki, Y, Tsumoto, K, Inoue, T. | Deposit date: | 2015-09-16 | Release date: | 2015-12-09 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Epiregulin Recognition Mechanisms by Anti-epiregulin Antibody 9E5: STRUCTURAL, FUNCTIONAL, AND MOLECULAR DYNAMICS SIMULATION ANALYSES J.Biol.Chem., 291, 2016
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1IV6
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![BU of 1iv6 by Molmil](/molmil-images/mine/1iv6) | Solution Structure of the DNA Complex of Human TRF1 | Descriptor: | 5'-D(*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*C)-3', 5'-D(*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3', TELOMERIC REPEAT BINDING FACTOR 1 | Authors: | Nishikawa, T, Okamura, H, Nagadoi, A, Konig, P, Rhodes, D, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-14 | Release date: | 2002-04-17 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a telomeric DNA complex of human TRF1. Structure, 9, 2001
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6LL5
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![BU of 6ll5 by Molmil](/molmil-images/mine/6ll5) | Crystal structure of KpFtsZ (residues 11-316) | Descriptor: | Cell division protein FtsZ, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE | Authors: | Yoshizawa, T, Fujita, J, Terakado, H, Ozawa, M, Kuroda, N, Tanaka, S, Uehara, R, Matsumura, H. | Deposit date: | 2019-12-21 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of the cell-division protein FtsZ from Klebsiella pneumoniae and Escherichia coli. Acta Crystallogr.,Sect.F, 76, 2020
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1IZO
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![BU of 1izo by Molmil](/molmil-images/mine/1izo) | Cytochrome P450 BS beta Complexed with Fatty Acid | Descriptor: | Cytochrome P450 152A1, PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, D.S, Yamada, A, Sugimoto, H, Matsunaga, I, Ogura, H, Ichihara, K, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-10-10 | Release date: | 2003-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Substrate Recognition and Molecular Mechanism of Fatty Acid Hydroxylation by Cytochrome P450 from Bacillus subtilis. CRYSTALLOGRAPHIC, SPECTROSCOPIC, AND MUTATIONAL STUDIES. J.Biol.Chem., 278, 2003
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1D8K
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![BU of 1d8k by Molmil](/molmil-images/mine/1d8k) | SOLUTION STRUCTURE OF THE CENTRAL CORE DOMAIN OF TFIIE BETA | Descriptor: | GENERAL TRANSCRIPTION FACTOR TFIIE-BETA | Authors: | Okuda, M, Watanabe, Y, Okamura, H, Hanaoka, F, Ohkuma, Y, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1999-10-25 | Release date: | 2000-04-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the central core domain of TFIIEbeta with a novel double-stranded DNA-binding surface. EMBO J., 19, 2000
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1D8J
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![BU of 1d8j by Molmil](/molmil-images/mine/1d8j) | SOLUTION STRUCTURE OF THE CENTRAL CORE DOMAIN OF TFIIE BETA | Descriptor: | GENERAL TRANSCRIPTION FACTOR TFIIE-BETA | Authors: | Okuda, M, Watanabe, Y, Okamura, H, Hanaoka, F, Ohkuma, Y, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1999-10-25 | Release date: | 2000-04-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the central core domain of TFIIEbeta with a novel double-stranded DNA-binding surface. EMBO J., 19, 2000
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3WYY
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![BU of 3wyy by Molmil](/molmil-images/mine/3wyy) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide | Descriptor: | (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y. | Deposit date: | 2014-09-10 | Release date: | 2015-04-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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3WYX
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![BU of 3wyx by Molmil](/molmil-images/mine/3wyx) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | Deposit date: | 2014-09-09 | Release date: | 2015-04-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23, 2015
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5AVH
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![BU of 5avh by Molmil](/molmil-images/mine/5avh) | The 0.90 angstrom structure (I222) of glucose isomerase crystallized in high-strength agarose hydrogel | Descriptor: | Xylose isomerase | Authors: | Sugiyama, S, Shimizu, N, Maruyama, N, Sazaki, G, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Matsumura, H. | Deposit date: | 2015-06-16 | Release date: | 2015-07-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Growth of protein crystals in hydrogels prevents osmotic shock J.Am.Chem.Soc., 134, 2012
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5AVN
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![BU of 5avn by Molmil](/molmil-images/mine/5avn) | The 1.03 angstrom structure (P212121) of glucose isomerase crystallized in high-strength agarose hydrogel | Descriptor: | CALCIUM ION, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Sugiyama, S, Shimizu, N, Maruyama, N, Sazaki, G, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Matsumura, H. | Deposit date: | 2015-06-23 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Growth of protein crystals in hydrogels prevents osmotic shock J.Am.Chem.Soc., 134, 2012
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5AVD
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![BU of 5avd by Molmil](/molmil-images/mine/5avd) | The 0.86 angstrom structure of elastase crystallized in high-strength agarose hydrogel | Descriptor: | Chymotrypsin-like elastase family member 1, SULFATE ION | Authors: | Sugiyama, S, Shimizu, N, Maruyama, M, Sazaki, G, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Matsumura, H. | Deposit date: | 2015-06-15 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Growth of protein crystals in hydrogels prevents osmotic shock J.Am.Chem.Soc., 134, 2012
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5AVG
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![BU of 5avg by Molmil](/molmil-images/mine/5avg) | The 0.95 angstrom structure of thaumatin crystallized in high-strength agarose hydrogel | Descriptor: | Thaumatin-1 | Authors: | Sugiyama, S, Shimizu, N, Maruyama, M, Sazaki, G, Hirose, M, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Matsumura, H. | Deposit date: | 2015-06-16 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Growth of protein crystals in hydrogels prevents osmotic shock J.Am.Chem.Soc., 134, 2012
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1UAN
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![BU of 1uan by Molmil](/molmil-images/mine/1uan) | Crystal structure of the conserved protein TT1542 from Thermus thermophilus HB8 | Descriptor: | hypothetical protein TT1542 | Authors: | Handa, N, Terada, T, Tame, J.R.H, Park, S.-Y, Kinoshita, K, Ota, M, Nakamura, H, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-03-12 | Release date: | 2003-08-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the conserved protein TT1542 from Thermus thermophilus HB8 PROTEIN SCI., 12, 2003
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1WRB
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![BU of 1wrb by Molmil](/molmil-images/mine/1wrb) | Crystal structure of the N-terminal RecA-like domain of DjVLGB, a pranarian Vasa-like RNA helicase | Descriptor: | DjVLGB, SULFATE ION | Authors: | Kurimoto, K, Muto, Y, Obayashi, N, Terada, T, Shirouzu, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Kigawa, T, Okumura, H, Tanaka, A, Shibata, N, Kashikawa, M, Agata, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-10-14 | Release date: | 2005-04-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the N-terminal RecA-like domain of a DEAD-box RNA helicase, the Dugesia japonica vasa-like gene B protein J.Struct.Biol., 150, 2005
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1EW0
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![BU of 1ew0 by Molmil](/molmil-images/mine/1ew0) | CRYSTAL STRUCTURE ANALYSIS OF THE SENSOR DOMAIN OF RMFIXL(FERROUS FORM) | Descriptor: | FIXL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Miyatake, H, Mukai, M, Park, S.-Y, Adachi, S, Tamura, K, Nakamura, H, Nakamura, K, Tsuchiya, T, Iizuka, T, Shiro, Y. | Deposit date: | 2000-04-21 | Release date: | 2000-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Sensory mechanism of oxygen sensor FixL from Rhizobium meliloti: crystallographic, mutagenesis and resonance Raman spectroscopic studies J.MOL.BIOL., 301, 2000
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3AGV
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![BU of 3agv by Molmil](/molmil-images/mine/3agv) | Crystal structure of a human IgG-aptamer complex | Descriptor: | 5'-R(*GP*GP*AP*GP*GP*(UFT)P*GP*(CFZ)P*(UFT)P*(CFZ)P*(CFZ)P*GP*AP*AP*A*GP*GP*AP*AP*(CFZ)P*(UFT)P*(CFZ)P*(CFZ)P*A)-3', CALCIUM ION, Ig gamma-1 chain C region, ... | Authors: | Nomura, Y, Sugiyama, S, Sakamoto, T, Miyakawa, S, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Nakamura, Y, Matsumura, H. | Deposit date: | 2010-04-08 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conformational plasticity of RNA for target recognition as revealed by the 2.15 A crystal structure of a human IgG-aptamer complex Nucleic Acids Res., 38, 2010
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3VQU
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![BU of 3vqu by Molmil](/molmil-images/mine/3vqu) | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | Deposit date: | 2012-03-30 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
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3W6G
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![BU of 3w6g by Molmil](/molmil-images/mine/3w6g) | Structure of peroxiredoxin from anaerobic hyperthermophilic archaeon Pyrococcus horikoshii | Descriptor: | CITRATE ANION, Probable peroxiredoxin | Authors: | Nakamura, T, Mori, A, Niiyama, M, Matsumura, H, Tokuyama, C, Morita, J, Uegaki, K, Inoue, T. | Deposit date: | 2013-02-14 | Release date: | 2013-07-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of peroxiredoxin from the anaerobic hyperthermophilic archaeon Pyrococcus horikoshii Acta Crystallogr.,Sect.F, 69, 2013
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4Z5T
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![BU of 4z5t by Molmil](/molmil-images/mine/4z5t) | The nucleosome containing human H3.5 | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Urahama, T, Harada, A, Maehara, K, Horikoshi, N, Sato, K, Sato, Y, Shiraishi, K, Sugino, N, Osakabe, A, Tachiwana, H, Kagawa, W, Kimura, H, Ohkawa, Y, Kurumizaka, H. | Deposit date: | 2015-04-03 | Release date: | 2016-02-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Histone H3.5 forms an unstable nucleosome and accumulates around transcription start sites in human testis. Epigenetics Chromatin, 9, 2016
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8XJ0
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![BU of 8xj0 by Molmil](/molmil-images/mine/8xj0) | Crystal structure of AmFab mutant - P40C/E165C (Light chain), G10C/P210C(Heavy chain) | Descriptor: | Adalimumab Fab Heavy chain, Adalimumab Fab Light chain | Authors: | Senda, M, Yoshikawa, M, Nakamura, H, Ohkuri, T, Senda, T. | Deposit date: | 2023-12-20 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Stabilization of adalimumab Fab through the introduction of disulfide bonds between the variable and constant domains. Biochem.Biophys.Res.Commun., 700, 2024
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6LP1
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![BU of 6lp1 by Molmil](/molmil-images/mine/6lp1) | Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei. | Descriptor: | CALCIUM ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase | Authors: | Mochizuki, K, Inaoka, D.K, Shiba, T, Fukuda, K, Kurasawa, H, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Balogun, E.O, Harada, S, Hirayama, K, Kita, K. | Deposit date: | 2020-01-08 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei. Biochim Biophys Acta Bioenerg, 1861, 2020
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