1IO7
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![BU of 1io7 by Molmil](/molmil-images/mine/1io7) | THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2001-02-08 | Release date: | 2001-02-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties. J.Inorg.Biochem., 91, 2002
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2FEI
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![BU of 2fei by Molmil](/molmil-images/mine/2fei) | Solution structure of the second SH3 domain of Human CMS protein | Descriptor: | CD2-associated protein | Authors: | Yao, B, Dai, H, Jiao, Y, Wu, J, Shi, Y. | Deposit date: | 2005-12-15 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second SH3 domain of human CMS and a newly identified binding site at the C-terminus of c-Cbl Biochim.Biophys.Acta, 1774, 2007
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1IO9
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![BU of 1io9 by Molmil](/molmil-images/mine/1io9) | THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES | Descriptor: | CYTOCHROME P450 CYP119, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Park, S.-Y, Yamane, K, Adachi, S, Shiro, Y, Sligar, S.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2001-02-08 | Release date: | 2001-03-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Thermophilic cytochrome P450 (CYP119) from Sulfolobus solfataricus: high resolution structure and functional properties. J.Inorg.Biochem., 91, 2002
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1JU8
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![BU of 1ju8 by Molmil](/molmil-images/mine/1ju8) | Solution structure of Leginsulin, a plant hormon | Descriptor: | Leginsulin | Authors: | Yamazaki, T, Takaoka, M, Katoh, E, Hanada, K, Sakita, M, Sakata, K, Nishiuchi, Y, Hirano, H. | Deposit date: | 2001-08-23 | Release date: | 2003-06-17 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | A possible physiological function and the tertiary structure of a 4-kDa peptide in legumes EUR.J.BIOCHEM., 270, 2003
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1MHW
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![BU of 1mhw by Molmil](/molmil-images/mine/1mhw) | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides | Descriptor: | 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L | Authors: | Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O. | Deposit date: | 2002-08-21 | Release date: | 2002-12-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides J.Med.Chem., 45, 2002
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7E18
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![BU of 7e18 by Molmil](/molmil-images/mine/7e18) | Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53 | Descriptor: | 1,2-ETHANEDIOL, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1ab | Authors: | Senda, M, Konno, S, Hayashi, Y, Senda, T. | Deposit date: | 2021-02-01 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents. J.Med.Chem., 65, 2022
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7E19
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![BU of 7e19 by Molmil](/molmil-images/mine/7e19) | Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5 | Descriptor: | (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase | Authors: | Senda, M, Konno, S, Hayashi, Y, Senda, T. | Deposit date: | 2021-02-01 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents. J.Med.Chem., 65, 2022
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8I74
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![BU of 8i74 by Molmil](/molmil-images/mine/8i74) | |
8I75
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![BU of 8i75 by Molmil](/molmil-images/mine/8i75) | |
8I76
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![BU of 8i76 by Molmil](/molmil-images/mine/8i76) | |
2ZA6
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![BU of 2za6 by Molmil](/molmil-images/mine/2za6) | recombinant horse L-chain apoferritin | Descriptor: | CADMIUM ION, Ferritin light chain | Authors: | Yamashita, I, Mishima, Y, Park, S.-Y, Heddle, J.G, Tame, J.R.H. | Deposit date: | 2007-10-02 | Release date: | 2008-01-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Effect of N-terminal Residues on the Structural Stability of Recombinant Horse L-chain Apoferritin in an Acidic Environment J.BIOCHEM.(TOKYO), 142, 2007
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2ZA7
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![BU of 2za7 by Molmil](/molmil-images/mine/2za7) | recombinant horse L-chain apoferritin N-terminal deletion mutant (residues 1-4) | Descriptor: | Ferritin light chain | Authors: | Yamashita, I, Mishima, Y, Park, S.-Y, Heddle, J.G, Tame, J.R.H. | Deposit date: | 2007-10-02 | Release date: | 2008-01-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Effect of N-terminal Residues on the Structural Stability of Recombinant Horse L-chain Apoferritin in an Acidic Environment J.BIOCHEM.(TOKYO), 142, 2007
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6IDJ
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![BU of 6idj by Molmil](/molmil-images/mine/6idj) | Crystal structure of human DHODH in complex with ferulenol | Descriptor: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | Deposit date: | 2018-09-10 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target. Genes (Basel), 11, 2020
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7DVO
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![BU of 7dvo by Molmil](/molmil-images/mine/7dvo) | Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y. | Deposit date: | 2021-01-14 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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6KFF
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![BU of 6kff by Molmil](/molmil-images/mine/6kff) | Undocked INX-6 hemichannel in a nanodisc | Descriptor: | Innexin-6 | Authors: | Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2019-07-07 | Release date: | 2020-02-12 | Last modified: | 2020-03-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids. Sci Adv, 6, 2020
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6KFH
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![BU of 6kfh by Molmil](/molmil-images/mine/6kfh) | Undocked hemichannel of an N-terminal deletion mutant of INX-6 in a nanodisc | Descriptor: | Innexin-6 | Authors: | Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2019-07-07 | Release date: | 2020-02-12 | Last modified: | 2020-03-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids. Sci Adv, 6, 2020
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6KNB
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![BU of 6knb by Molmil](/molmil-images/mine/6knb) | PolD-PCNA-DNA (form A) | Descriptor: | DNA polymerase D DP2 (DNA polymerase II large) subunit, DNA polymerase II small subunit, DNA polymerase sliding clamp 1, ... | Authors: | Mayanagi, K, Oki, K, Miyazaki, N, Ishino, S, Yamagami, T, Iwasaki, K, Kohda, D, Morikawa, K, Shirai, T, Ishino, Y. | Deposit date: | 2019-08-05 | Release date: | 2020-08-05 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Two conformations of DNA polymerase D-PCNA-DNA, an archaeal replisome complex, revealed by cryo-electron microscopy. Bmc Biol., 18, 2020
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2ZA8
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![BU of 2za8 by Molmil](/molmil-images/mine/2za8) | recombinant horse L-chain apoferritin N-terminal deletion mutant (residues 1-8) | Descriptor: | CADMIUM ION, Ferritin light chain | Authors: | Yamashita, I, Mishima, Y, Park, S.-Y, Heddle, J.G, Tame, J.R.H. | Deposit date: | 2007-10-02 | Release date: | 2008-01-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Effect of N-terminal Residues on the Structural Stability of Recombinant Horse L-chain Apoferritin in an Acidic Environment J.BIOCHEM.(TOKYO), 142, 2007
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2F7X
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![BU of 2f7x by Molmil](/molmil-images/mine/2f7x) | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 16, 2006
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2PT5
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![BU of 2pt5 by Molmil](/molmil-images/mine/2pt5) | Crystal Structure Of Shikimate Kinase (aq_2177) From Aquifex Aeolicus vf5 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Shikimate kinase | Authors: | Jeyakanthan, J, Nithya, N, Shimada, A, Velmurugan, D, Ebihara, A, Shinkai, A, Kuramitsu, S, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-08 | Release date: | 2008-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure Of Shikimate Kinase (aq_2177) From Aquifex Aeolicus vf5 To be Published
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6KFG
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![BU of 6kfg by Molmil](/molmil-images/mine/6kfg) | Undocked INX-6 hemichannel in detergent | Descriptor: | Innexin-6 | Authors: | Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2019-07-07 | Release date: | 2020-02-12 | Last modified: | 2020-03-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids. Sci Adv, 6, 2020
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6KNC
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![BU of 6knc by Molmil](/molmil-images/mine/6knc) | PolD-PCNA-DNA (form B) | Descriptor: | DNA polymerase D DP2 (DNA polymerase II large) subunit, DNA polymerase II small subunit, DNA polymerase sliding clamp 1, ... | Authors: | Mayanagi, K, Oki, K, Miyazaki, N, Ishino, S, Yamagami, T, Iwasaki, K, Kohda, D, Morikawa, K, Shirai, T, Ishino, Y. | Deposit date: | 2019-08-05 | Release date: | 2020-08-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Two conformations of DNA polymerase D-PCNA-DNA, an archaeal replisome complex, revealed by cryo-electron microscopy. Bmc Biol., 18, 2020
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2F7Z
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![BU of 2f7z by Molmil](/molmil-images/mine/2f7z) | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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6IN2
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![BU of 6in2 by Molmil](/molmil-images/mine/6in2) | Crystal structure of BRD1 in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, Bromodomain-containing protein 1 | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor To Be Published
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7AKT
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![BU of 7akt by Molmil](/molmil-images/mine/7akt) | CrPetF variant - A39G_A41V | Descriptor: | BENZAMIDINE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Kurisu, G, Ohnishi, Y, Engelbrecht, V, Happe, T. | Deposit date: | 2020-10-02 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Ferredoxin 2.0: an electron transfer protein designed into a photosystem I-driven hydrogenase To Be Published
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