8JS6
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![BU of 8js6 by Molmil](/molmil-images/mine/8js6) | Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme | Descriptor: | CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y. | Deposit date: | 2023-06-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme. To be published
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4Z2I
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![BU of 4z2i by Molmil](/molmil-images/mine/4z2i) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 30 | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ... | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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4Z2H
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![BU of 4z2h by Molmil](/molmil-images/mine/4z2h) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 29 | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ... | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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4Z2K
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![BU of 4z2k by Molmil](/molmil-images/mine/4z2k) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 32 | Descriptor: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate, Chitinase B, GLYCEROL | Authors: | Maita, N, Sugawara, A, Sunazuka, T. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
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6IIW
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![BU of 6iiw by Molmil](/molmil-images/mine/6iiw) | Crystal structure of human UHRF1 PHD finger in complex with PAF15 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase UHRF1, PCNA-associated factor, ... | Authors: | Arita, K, Kori, S. | Deposit date: | 2018-10-07 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Two distinct modes of DNMT1 recruitment ensure stable maintenance DNA methylation. Nat Commun, 11, 2020
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7N1N
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![BU of 7n1n by Molmil](/molmil-images/mine/7n1n) | Prx in complex with ComR DNA-binding domain | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ComR, Prx | Authors: | Rutbeek, N.R, Prehna, G. | Deposit date: | 2021-05-27 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox. J.Biol.Chem., 297, 2021
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7N10
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3Q96
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![BU of 3q96 by Molmil](/molmil-images/mine/3q96) | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | Descriptor: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | Authors: | Sintchak, M.D, Aertgeerts, K, Yano, J. | Deposit date: | 2011-01-07 | Release date: | 2011-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors. J.Med.Chem., 54, 2011
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1V40
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![BU of 1v40 by Molmil](/molmil-images/mine/1v40) | First Inhibitor Complex Structure of Human Hematopoietic Prostaglandin D Synthase | Descriptor: | 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM, GLUTATHIONE, GLYCEROL, ... | Authors: | Inoue, T, Okano, Y, Kado, Y, Aritake, K, Irikura, D, Uodome, N, Kinugasa, S, Okazaki, N, Matsumura, H, Kai, Y, Urade, Y. | Deposit date: | 2003-11-07 | Release date: | 2004-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | First determination of the inhibitor complex structure of human hematopoietic prostaglandin D synthase. J.Biochem.(Tokyo), 135, 2004
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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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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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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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5XSO
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![BU of 5xso by Molmil](/molmil-images/mine/5xso) | Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221 | Descriptor: | FORMIC ACID, GLYCEROL, Response regulator FixJ | Authors: | Nishizono, Y, Hisano, T, Sawai, H, Shiro, Y, Nakamura, H, Wright, G.S.A, Saeki, A, Hikima, T, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-14 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.778 Å) | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system. Sci Signal, 11, 2018
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5XT2
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![BU of 5xt2 by Molmil](/molmil-images/mine/5xt2) | Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121 | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2017-06-16 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system. Sci Signal, 11, 2018
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2SNS
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![BU of 2sns by Molmil](/molmil-images/mine/2sns) | STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Legg, M.J, Cotton, F.A, Hazen Jr, E.E. | Deposit date: | 1982-05-14 | Release date: | 1982-07-29 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thesis, Texas Agricultural and Mechanical University, 1977
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5WR7
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![BU of 5wr7 by Molmil](/molmil-images/mine/5wr7) | Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | Descriptor: | High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | Authors: | Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. | Deposit date: | 2016-11-30 | Release date: | 2017-12-06 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer. Mol. Cancer Ther., 17, 2018
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3A3V
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![BU of 3a3v by Molmil](/molmil-images/mine/3a3v) | Crystal structure of reducing-end-xylose releasing exo-oligoxylanase Y198F mutant | Descriptor: | GLYCEROL, NICKEL (II) ION, Xylanase Y | Authors: | Hidaka, M, Fushinobu, S, Honda, Y, Kitaoka, M. | Deposit date: | 2009-06-22 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural explanation for the acquisition of glycosynthase activity J.Biochem., 147, 2010
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3A7A
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![BU of 3a7a by Molmil](/molmil-images/mine/3a7a) | Crystal structure of E. coli lipoate-protein ligase A in complex with octyl-amp and apoH-protein | Descriptor: | ADENOSINE MONOPHOSPHATE, Glycine cleavage system H protein, Lipoate-protein ligase A, ... | Authors: | Fujiwara, K, Hosaka, H, Nakagawa, A. | Deposit date: | 2009-09-20 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A. J.Biol.Chem., 285, 2010
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3A7U
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![BU of 3a7u by Molmil](/molmil-images/mine/3a7u) | |
3A7R
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![BU of 3a7r by Molmil](/molmil-images/mine/3a7r) | |
2ZOF
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![BU of 2zof by Molmil](/molmil-images/mine/2zof) | Crystal structure of mouse carnosinase CN2 complexed with MN and bestatin | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Cytosolic non-specific dipeptidase, MANGANESE (II) ION | Authors: | Unno, H, Yamashita, T, Okumura, N, Kusunoki, M. | Deposit date: | 2008-05-14 | Release date: | 2008-06-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for substrate recognition and hydrolysis by mouse carnosinase CN2. J.Biol.Chem., 283, 2008
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3A8I
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![BU of 3a8i by Molmil](/molmil-images/mine/3a8i) | Crystal Structure of ET-EHred-5-CH3-THF complex | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Aminomethyltransferase, Glycine cleavage system H protein, ... | Authors: | Okamura-Ikeda, K, Hosaka, H. | Deposit date: | 2009-10-06 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism J.Biol.Chem., 285, 2010
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3A8J
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![BU of 3a8j by Molmil](/molmil-images/mine/3a8j) | Crystal Structure of ET-EHred complex | Descriptor: | Aminomethyltransferase, Glycine cleavage system H protein | Authors: | Okamura-Ikeda, K, Hosaka, H. | Deposit date: | 2009-10-06 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism J.Biol.Chem., 285, 2010
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2ZOG
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![BU of 2zog by Molmil](/molmil-images/mine/2zog) | Crystal structure of mouse carnosinase CN2 complexed with ZN and bestatin | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Cytosolic non-specific dipeptidase, ZINC ION | Authors: | Unno, H, Yamashita, T, Okumura, N, Kusunoki, M. | Deposit date: | 2008-05-14 | Release date: | 2008-06-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for substrate recognition and hydrolysis by mouse carnosinase CN2. J.Biol.Chem., 283, 2008
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3A7L
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![BU of 3a7l by Molmil](/molmil-images/mine/3a7l) | Crystal structure of E. coli apoH-protein | Descriptor: | Glycine cleavage system H protein | Authors: | Fujiwara, K, Maita, N. | Deposit date: | 2009-09-28 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A. J.Biol.Chem., 285, 2010
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