3B1C
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![BU of 3b1c by Molmil](/molmil-images/mine/3b1c) | Crystal structure of betaC-S lyase from Streptococcus anginosus: Internal aldimine form | Descriptor: | BetaC-S lyase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Kezuka, Y, Yoshida, Y, Nonaka, T. | Deposit date: | 2011-06-29 | Release date: | 2012-06-27 | Last modified: | 2014-01-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural insights into catalysis by beta C-S lyase from Streptococcus anginosus Proteins, 80, 2012
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3WA9
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![BU of 3wa9 by Molmil](/molmil-images/mine/3wa9) | The nucleosome containing human H2A.Z.1 | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ... | Authors: | Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H. | Deposit date: | 2013-04-30 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2 Acta Crystallogr.,Sect.D, 69, 2013
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3WAA
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![BU of 3waa by Molmil](/molmil-images/mine/3waa) | The nucleosome containing human H2A.Z.2 | Descriptor: | DNA (146-MER), Histone H2A.V, Histone H2B type 1-J, ... | Authors: | Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H. | Deposit date: | 2013-04-30 | Release date: | 2013-12-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2 Acta Crystallogr.,Sect.D, 69, 2013
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8II1
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![BU of 8ii1 by Molmil](/molmil-images/mine/8ii1) | Crystal structure of V30M-TTR in complex with BID | Descriptor: | Benziodarone, Transthyretin | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.907 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II3
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![BU of 8ii3 by Molmil](/molmil-images/mine/8ii3) | Crystal structure of V30M-TTR in complex with 6-hydroxy BID | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II4
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![BU of 8ii4 by Molmil](/molmil-images/mine/8ii4) | Crystal structure of V30M-TTR in complex with 6-hydroxy BBM | Descriptor: | Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II2
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![BU of 8ii2 by Molmil](/molmil-images/mine/8ii2) | Crystal structure of V30M-TTR in complex with BBM | Descriptor: | CALCIUM ION, Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8IG1
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![BU of 8ig1 by Molmil](/molmil-images/mine/8ig1) | Crystal structure of wild-type transthyretin in complex with rafoxanide | Descriptor: | SODIUM ION, Transthyretin, ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide | Authors: | Yokoyama, T. | Deposit date: | 2023-02-20 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Rafoxanide, a salicylanilide anthelmintic, interacts with human plasma protein transthyretin. Febs J., 290, 2023
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7YCE
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![BU of 7yce by Molmil](/molmil-images/mine/7yce) | KRas G12C in complex with Compound 7b | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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7YCC
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![BU of 7ycc by Molmil](/molmil-images/mine/7ycc) | KRas G12C in complex with Compound 5c | Descriptor: | 1-[7-[6-chloranyl-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)-2-[(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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3A2Q
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![BU of 3a2q by Molmil](/molmil-images/mine/3a2q) | Structure of 6-aminohexanoate cyclic dimer hydrolase complexed with substrate | Descriptor: | 6-AMINOHEXANOIC ACID, 6-aminohexanoate-cyclic-dimer hydrolase, GLYCEROL | Authors: | Shibata, N. | Deposit date: | 2009-05-26 | Release date: | 2009-11-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic analysis of the 6-aminohexanoate cyclic dimer hydrolase: catalytic mechanism and evolution of an enzyme responsible for nylon-6 byproduct degradation J.Biol.Chem., 285, 2010
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7F81
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![BU of 7f81 by Molmil](/molmil-images/mine/7f81) | Structure of the bacterial cellulose synthase subunit Z from Enterobacter sp. CJF-002 | Descriptor: | GLYCEROL, Glucanase, S,R MESO-TARTARIC ACID | Authors: | Fujiwara, T, Fujishima, A, Yao, M. | Deposit date: | 2021-06-30 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural snapshot of a glycoside hydrolase family 8 endo-beta-1,4-glucanase capturing the state after cleavage of the scissile bond. Acta Crystallogr.,Sect.D, 78, 2022
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7F82
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![BU of 7f82 by Molmil](/molmil-images/mine/7f82) | Structure of the bacterial cellulose synthase subunit Z in complex with cellooligosaccharides from Enterobacter sp. CJF-002 | Descriptor: | Glucanase, S,R MESO-TARTARIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Fujiwara, T, Fujishima, A, Yao, M. | Deposit date: | 2021-06-30 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural snapshot of a glycoside hydrolase family 8 endo-beta-1,4-glucanase capturing the state after cleavage of the scissile bond. Acta Crystallogr.,Sect.D, 78, 2022
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3A66
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![BU of 3a66 by Molmil](/molmil-images/mine/3a66) | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N/D370Y mutant with substrate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOATE-DIMER HYDROLASE, 6-AMINOHEXANOIC ACID, ... | Authors: | Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S. | Deposit date: | 2009-08-21 | Release date: | 2010-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis To be Published
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3A65
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![BU of 3a65 by Molmil](/molmil-images/mine/3a65) | Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/H266N mutant with substrate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ... | Authors: | Kawashima, Y, Shibata, N, Higuchi, Y, Takeo, M, Negoro, S. | Deposit date: | 2009-08-21 | Release date: | 2010-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enzymatic Synthesis of Nylon-6 Units in Organic Sol Contained Low-Water: Structural Requirement of 6-Aminohexanoate-Dimer Hydrolase for Efficient Amid Synthesis To be Published
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4AGG
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![BU of 4agg by Molmil](/molmil-images/mine/4agg) | Structure of a tetrameric galectin from Cinachyrella sp. (Ball sponge) | Descriptor: | CHLORIDE ION, GALECTIN | Authors: | Freymann, D.M, Focia, P.J, Sakai, R, Swanson, G.T. | Deposit date: | 2012-01-27 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure of a Tetrameric Galectin from Cinachyrella Sp. (Ball Sponge). Acta Crystallogr.,Sect.D, 68, 2012
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4AGR
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![BU of 4agr by Molmil](/molmil-images/mine/4agr) | Structure of a tetrameric galectin from Cinachyrella sp. (Ball sponge) | Descriptor: | CHLORIDE ION, GALECTIN | Authors: | Freymann, D.M, Focia, P.J, Sakai, R, Swanson, G.T. | Deposit date: | 2012-01-31 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a Tetrameric Galectin from Cinachyrella Sp. (Ball Sponge). Acta Crystallogr.,Sect.D, 68, 2012
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4AGV
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![BU of 4agv by Molmil](/molmil-images/mine/4agv) | Structure of a tetrameric galectin from Cinachyrella sp. (Ball sponge) | Descriptor: | GALECTIN | Authors: | Freymann, D.M, Focia, P.J, Sakai, R, Swanson, G.T. | Deposit date: | 2012-01-31 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of a Tetrameric Galectin from Cinachyrella Sp. (Ball Sponge). Acta Crystallogr.,Sect.D, 68, 2012
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3A2P
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![BU of 3a2p by Molmil](/molmil-images/mine/3a2p) | Structure of 6-aminohexanoate cyclic dimer hydrolase | Descriptor: | 6-aminohexanoate-cyclic-dimer hydrolase, GLYCEROL | Authors: | Shibata, N. | Deposit date: | 2009-05-26 | Release date: | 2009-11-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystallographic analysis of the 6-aminohexanoate cyclic dimer hydrolase: catalytic mechanism and evolution of an enzyme responsible for nylon-6 byproduct degradation J.Biol.Chem., 285, 2010
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5X32
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![BU of 5x32 by Molmil](/molmil-images/mine/5x32) | Crystal structure of D-mannose isomerase | Descriptor: | N-acylglucosamine 2-epimerase, PHOSPHATE ION | Authors: | Kato, K, Saburi, W, Yao, M. | Deposit date: | 2017-02-03 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.586 Å) | Cite: | Biochemical and structural characterization of Marinomonas mediterranead-mannose isomerase Marme_2490 phylogenetically distant from known enzymes Biochimie, 144, 2018
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3WV2
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![BU of 3wv2 by Molmil](/molmil-images/mine/3wv2) | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide | Descriptor: | CALCIUM ION, Collagenase 3, N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2014-05-12 | Release date: | 2014-09-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site. Bioorg.Med.Chem., 22, 2014
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3WV3
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![BU of 3wv3 by Molmil](/molmil-images/mine/3wv3) | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2014-05-12 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site. Bioorg.Med.Chem., 22, 2014
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5W49
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![BU of 5w49 by Molmil](/molmil-images/mine/5w49) | The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to oxadiazole inhibitor | Descriptor: | (4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone, 1,2-ETHANEDIOL, Adenosylhomocysteinase, ... | Authors: | Dougan, D.R, Lawson, J.D, Lane, W. | Deposit date: | 2017-06-09 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of AHCY inhibitors using novel high-throughput mass spectrometry. Biochem. Biophys. Res. Commun., 491, 2017
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7F4V
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![BU of 7f4v by Molmil](/molmil-images/mine/7f4v) | Cryo-EM structure of a primordial cyanobacterial photosystem I | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Kato, K, Hamaguchi, T, Nagao, R, Kawakami, K, Yonekura, K, Shen, J.R. | Deposit date: | 2021-06-21 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.04 Å) | Cite: | Structural basis for the absence of low-energy chlorophylls responsible for photoprotection from a primitive cyanobacterial PSI Biorxiv, 2022
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3WV1
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![BU of 3wv1 by Molmil](/molmil-images/mine/3wv1) | Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | Descriptor: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2014-05-12 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach J.Med.Chem., 57, 2014
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