6OEH
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![BU of 6oeh by Molmil](/molmil-images/mine/6oeh) | PolyAla Model of OMCC I-Layer | 分子名称: | PolyAla Model of OMCC I-Layer | 著者 | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | 登録日 | 2019-03-27 | 公開日 | 2019-07-03 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure of the Helicobacter pylori Cag type IV secretion system. Elife, 8, 2019
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6OEX
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![BU of 6oex by Molmil](/molmil-images/mine/6oex) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | 分子名称: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2019-03-28 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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5D1B
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![BU of 5d1b by Molmil](/molmil-images/mine/5d1b) | Crystal structure of G117E HDAC8 in complex with TSA | 分子名称: | Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ... | 著者 | Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | 登録日 | 2015-08-04 | 公開日 | 2015-10-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
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5D1D
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![BU of 5d1d by Molmil](/molmil-images/mine/5d1d) | Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate | 分子名称: | HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ... | 著者 | Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | 登録日 | 2015-08-04 | 公開日 | 2015-10-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | 主引用文献 | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
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1J9K
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![BU of 1j9k by Molmil](/molmil-images/mine/1j9k) | CRYSTAL STRUCTURE OF SURE PROTEIN FROM T.MARITIMA IN COMPLEX WITH TUNGSTATE | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, STATIONARY PHASE SURVIVAL PROTEIN, ... | 著者 | Suh, S.W, Lee, J.Y, Kwak, J.E, Moon, J. | 登録日 | 2001-05-27 | 公開日 | 2001-09-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family. Nat.Struct.Biol., 8, 2001
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7ATR
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1O5B
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![BU of 1o5b by Molmil](/molmil-images/mine/1o5b) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | 分子名称: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRIC ACID, Urokinase-type plasminogen activator | 著者 | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | 登録日 | 2003-09-09 | 公開日 | 2004-09-21 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA) J.Mol.Biol., 344, 2004
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7AP5
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![BU of 7ap5 by Molmil](/molmil-images/mine/7ap5) | Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome. | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | 著者 | Patel, H.M, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E. | 登録日 | 2020-10-15 | 公開日 | 2021-11-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.131 Å) | 主引用文献 | The crystal stacks of hexameric assemblies of phycoerythrin from cyanobacterium Nostoc sp. WR13 resemble rods of phycobilisome To Be Published
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8D9P
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![BU of 8d9p by Molmil](/molmil-images/mine/8d9p) | De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations | 分子名称: | CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | 登録日 | 2022-06-10 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
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6PZN
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5JUD
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![BU of 5jud by Molmil](/molmil-images/mine/5jud) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with uridine-diphosphate (UDP) - GpgS*UDP | 分子名称: | Glucosyl-3-phosphoglycerate synthase, URIDINE-5'-DIPHOSPHATE | 著者 | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | 登録日 | 2016-05-10 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS. Structure, 25, 2017
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7ASJ
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4DTF
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![BU of 4dtf by Molmil](/molmil-images/mine/4dtf) | Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with AMP-PNP and Mg++ | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C. | 登録日 | 2012-02-21 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with AMP-PNP and Mg++ J.Biol.Chem., 2012
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5JPE
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![BU of 5jpe by Molmil](/molmil-images/mine/5jpe) | Yeast-specific serine/threonine protein phosphatase (PPZ1) of Candida albicans | 分子名称: | CITRATE ANION, GLYCEROL, Serine/threonine-protein phosphatase | 著者 | Choy, M.S, Chen, E.H, Peti, W, Page, R. | 登録日 | 2016-05-03 | 公開日 | 2016-08-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.611 Å) | 主引用文献 | Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans. Mbio, 7, 2016
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3O4W
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![BU of 3o4w by Molmil](/molmil-images/mine/3o4w) | Crystal structure of dimeric KlHxk1 in crystal form IV | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Hexokinase, ... | 著者 | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | 登録日 | 2010-07-27 | 公開日 | 2010-10-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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6B6Y
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![BU of 6b6y by Molmil](/molmil-images/mine/6b6y) | Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, dithionite-reduced then oxygen-exposed (protein batch 2), oxidized C-cluster | 分子名称: | Carbon monoxide dehydrogenase, FE2/S2 (INORGANIC) CLUSTER, Fe(4)-Ni(1)-S(4) cluster, ... | 著者 | Wittenborn, E.C, Drennan, C.L. | 登録日 | 2017-10-03 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase. Elife, 7, 2018
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3UPZ
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6B7E
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![BU of 6b7e by Molmil](/molmil-images/mine/6b7e) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one | 分子名称: | (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | 著者 | Proudfoot, A.W, Bussiere, D, Lingel, A. | 登録日 | 2017-10-03 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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7B4T
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![BU of 7b4t by Molmil](/molmil-images/mine/7b4t) | Broadly neutralizing DARPin bnD.1 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | 分子名称: | Broadly neutralizing DARPin bnD.1, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), SULFATE ION | 著者 | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | 登録日 | 2020-12-02 | 公開日 | 2021-11-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization. Nat Commun, 12, 2021
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7B4U
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![BU of 7b4u by Molmil](/molmil-images/mine/7b4u) | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | 分子名称: | Broadly neutralizing DARPin bnD.2, CALCIUM ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | 著者 | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | 登録日 | 2020-12-02 | 公開日 | 2021-11-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization. Nat Commun, 12, 2021
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5G6U
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![BU of 5g6u by Molmil](/molmil-images/mine/5g6u) | Crystal structure of langerin carbohydrate recognition domain with GlcNS6S | 分子名称: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | 著者 | Porkolab, V, Chabrol, E, Varga, N, Ordanini, S, Sutkeviciute, I, Thepaut, M, Bernardi, A, Fieschi, F. | 登録日 | 2016-07-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | 主引用文献 | Rational-Differential Design of Highly Specific Glycomimetic Ligands: Targeting DC-SIGN and Excluding Langerin Recognition. ACS Chem. Biol., 13, 2018
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7B4V
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![BU of 7b4v by Molmil](/molmil-images/mine/7b4v) | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | 分子名称: | Broadly neutralizing DARPin bnD.2, CHLORIDE ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), ... | 著者 | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | 登録日 | 2020-12-02 | 公開日 | 2021-11-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization. Nat Commun, 12, 2021
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3UOM
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![BU of 3uom by Molmil](/molmil-images/mine/3uom) | Ca2+ complex of Human skeletal calsequestrin | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | 著者 | Sanchez, E.J, Lewis, K.M, Danna, B.R, Nissen, M.S, Kang, C.H. | 登録日 | 2011-11-16 | 公開日 | 2012-02-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | High-capacity Ca2+ Binding of Human Skeletal Calsequestrin. J.Biol.Chem., 287, 2012
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7B4W
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![BU of 7b4w by Molmil](/molmil-images/mine/7b4w) | Broadly neutralizing DARPin bnD.3 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Broadly neutralizing DARPin bnD.3, ... | 著者 | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | 登録日 | 2020-12-02 | 公開日 | 2021-11-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization. Nat Commun, 12, 2021
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4Y7Y
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![BU of 4y7y by Molmil](/molmil-images/mine/4y7y) | Yeast 20S proteasome in complex with Ac-LAA-ep | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAA-ep, CHLORIDE ION, ... | 著者 | Huber, E.M, Groll, M. | 登録日 | 2015-02-16 | 公開日 | 2015-06-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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