6TE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6te7 by Molmil](/molmil-images/mine/6te7) | The structure of CYP121 in complex with inhibitor S2 | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ... | 著者 | Adam, S, Koehnke, J. | 登録日 | 2019-11-11 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.50001824 Å) | 主引用文献 | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
|
|
5HZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hzx by Molmil](/molmil-images/mine/5hzx) | Crystal structure of zebrafish MTH1 in complex with TH588 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Narwal, M, Gustafsson, R, Brautigam, L, Pudelko, L, Jemth, A.-S, Gad, H, Karsten, S, Carreras-Puigvert, J, Homan, E, Berndt, C, Berglund, U.W, Helleday, T, Stenmark, P. | 登録日 | 2016-02-03 | 公開日 | 2016-02-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition. Cancer Res., 76, 2016
|
|
8S7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s7c by Molmil](/molmil-images/mine/8s7c) | Ternary Complex of Cachd1, FZD5 and LRP6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-5, ... | 著者 | Zhao, Y, Ren, J, Jones, E.Y. | 登録日 | 2024-02-29 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (4.7 Å) | 主引用文献 | Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain. Science, 384, 2024
|
|
8RU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ru0 by Molmil](/molmil-images/mine/8ru0) | Structure of the undecorated barbed end of F-actin. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | 著者 | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | 登録日 | 2024-01-29 | 公開日 | 2024-04-10 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Molecular mechanism of actin filament elongation by formins. Science, 384, 2024
|
|
6TI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ti5 by Molmil](/molmil-images/mine/6ti5) | A New Structural Model of Abeta(1-40) Fibrils | 分子名称: | Amyloid-beta precursor protein | 著者 | Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A. | 登録日 | 2019-11-21 | 公開日 | 2020-07-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
|
|
8R5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r5u by Molmil](/molmil-images/mine/8r5u) | |
8RTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rtt by Molmil](/molmil-images/mine/8rtt) | Structure of the formin Cdc12 bound to the barbed end of phalloidin-stabilized F-actin. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | 著者 | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | 登録日 | 2024-01-29 | 公開日 | 2024-04-10 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.56 Å) | 主引用文献 | Molecular mechanism of actin filament elongation by formins. Science, 384, 2024
|
|
8RU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ru2 by Molmil](/molmil-images/mine/8ru2) | Structure of the F-actin barbed end bound by formin mDia1 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | 著者 | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | 登録日 | 2024-01-29 | 公開日 | 2024-04-10 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Molecular mechanism of actin filament elongation by formins. Science, 384, 2024
|
|
8R5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r5t by Molmil](/molmil-images/mine/8r5t) | |
8RV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rv2 by Molmil](/molmil-images/mine/8rv2) | Structure of the formin INF2 bound to the barbed end of F-actin. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | 著者 | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | 登録日 | 2024-01-31 | 公開日 | 2024-04-10 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | 主引用文献 | Molecular mechanism of actin filament elongation by formins. Science, 384, 2024
|
|
6TZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tzv by Molmil](/molmil-images/mine/6tzv) | Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis | 分子名称: | 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6 | 著者 | Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2019-08-13 | 公開日 | 2020-08-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.388 Å) | 主引用文献 | Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis To Be Published
|
|
6U1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u1t by Molmil](/molmil-images/mine/6u1t) | Crystal structure of anti-Nipah virus (NiV) F 5B3 antibody Fab fragment | 分子名称: | CHLORIDE ION, antigen-binding (Fab) fragment, heavy chain, ... | 著者 | Dang, H.V, Chan, Y.P, Park, Y.J, Snijder, J, Da Silva, S.C, Vu, B, Yan, L, Feng, Y.R, Rockx, B, Geisbert, T, Mire, C, Mire, C.E, BBroder, C.C, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2019-08-16 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | 主引用文献 | An antibody against the F glycoprotein inhibits Nipah and Hendra virus infections. Nat.Struct.Mol.Biol., 26, 2019
|
|
4UNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4unr by Molmil](/molmil-images/mine/4unr) | Mtb TMK in complex with compound 23 | 分子名称: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4unn by Molmil](/molmil-images/mine/4unn) | Mtb TMK in complex with compound 8 | 分子名称: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-29 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4unq by Molmil](/molmil-images/mine/4unq) | Mtb TMK in complex with compound 36 | 分子名称: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4unp by Molmil](/molmil-images/mine/4unp) | Mtb TMK in complex with compound 34 | 分子名称: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-01-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4UNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uns by Molmil](/molmil-images/mine/4uns) | Mtb TMK in complex with compound 40 | 分子名称: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | 登録日 | 2014-05-30 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors. J.Med.Chem., 58, 2015
|
|
4NAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nap by Molmil](/molmil-images/mine/4nap) | Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan | 分子名称: | D-TRYPTOPHAN, Extracellular solute-binding protein, family 7 | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-10-22 | 公開日 | 2013-11-13 | 最終更新日 | 2015-02-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
4N8G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n8g by Molmil](/molmil-images/mine/4n8g) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine | 分子名称: | CHLORIDE ION, D-ALANINE, SULFATE ION, ... | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-10-17 | 公開日 | 2013-10-30 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.502 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
4NGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ngu by Molmil](/molmil-images/mine/4ngu) | Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio alaskensis G20 (Dde_1548), Target EFI-510103, with bound D-Ala-D-Ala | 分子名称: | CHLORIDE ION, D-ALANINE, SULFATE ION, ... | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-11-02 | 公開日 | 2013-12-04 | 最終更新日 | 2015-02-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
4NH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nh4 by Molmil](/molmil-images/mine/4nh4) | Structure of the binary complex of a zingiber officinale double bond reductase in complex with NADP | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Zingiber officinale double bond reductase | 著者 | Langlois D'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R. | 登録日 | 2013-11-04 | 公開日 | 2014-11-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of zingiber officinale double bond reductase To be Published
|
|
4NI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ni5 by Molmil](/molmil-images/mine/4ni5) | Crystal Structure of a Short Chain Dehydrogenase from Brucella suis | 分子名称: | MAGNESIUM ION, Oxidoreductase, short-chain dehydrogenase/reductase family protein | 著者 | Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2013-11-05 | 公開日 | 2013-11-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of a Short Chain Dehydrogenase from Brucella suis TO BE PUBLISHED
|
|
4NHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nhb by Molmil](/molmil-images/mine/4nhb) | Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate | 分子名称: | IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-11-04 | 公開日 | 2013-11-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
4NF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nf0 by Molmil](/molmil-images/mine/4nf0) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate | 分子名称: | (2S)-2-hydroxybutanedioic acid, Probable c4-dicarboxylate-binding protein, SULFATE ION | 著者 | Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-10-30 | 公開日 | 2013-11-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
4NG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ng7 by Molmil](/molmil-images/mine/4ng7) | Crystal structure of a TRAP periplasmic solute binding protein from Citrobacter koseri (CKO_04899), Target EFI-510094, apo, open structure | 分子名称: | TRAP periplasmic solute binding protein | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-11-01 | 公開日 | 2013-11-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|