2Y0F
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![BU of 2y0f by Molmil](/molmil-images/mine/2y0f) | STRUCTURE OF GCPE (IspG) FROM THERMUS THERMOPHILUS HB27 | 分子名称: | 4-HYDROXY-3-METHYLBUT-2-EN-1-YL DIPHOSPHATE SYNTHASE, IRON/SULFUR CLUSTER | 著者 | Rekittke, I, Nonaka, T, Wiesner, J, Demmer, U, Warkentin, E, Jomaa, H, Ermler, U. | 登録日 | 2010-12-02 | 公開日 | 2011-01-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the E-1-Hydroxy-2-Methyl-But-2-Enyl-4-Diphosphate Synthase (Gcpe) from Thermus Thermophilus. FEBS Lett., 585, 2011
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5A7S
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![BU of 5a7s by Molmil](/molmil-images/mine/5a7s) | Crystal structure of human JMJD2A in complex with compound 44 | 分子名称: | 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | 登録日 | 2015-07-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5IYC
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![BU of 5iyc by Molmil](/molmil-images/mine/5iyc) | Human core-PIC in the initial transcribing state | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | 著者 | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | 登録日 | 2016-03-24 | 公開日 | 2016-05-18 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Near-atomic resolution visualization of human transcription promoter opening. Nature, 533, 2016
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4P2Z
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![BU of 4p2z by Molmil](/molmil-images/mine/4p2z) | Structure of NavMS T207A/F214A | 分子名称: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | 著者 | Bagneris, C, Naylor, C.E, Wallace, B.A. | 登録日 | 2014-03-05 | 公開日 | 2014-06-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | 主引用文献 | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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5JID
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![BU of 5jid by Molmil](/molmil-images/mine/5jid) | Crystal Structure of Human Transthyretin in Complex with Perfluorooctanoic acid (PFOA) | 分子名称: | SODIUM ION, Transthyretin, pentadecafluorooctanoic acid | 著者 | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | 登録日 | 2016-04-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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2Y3D
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![BU of 2y3d by Molmil](/molmil-images/mine/2y3d) | Zn-bound form of Cupriavidus metallidurans CH34 CnrXs | 分子名称: | CHLORIDE ION, NICKEL AND COBALT RESISTANCE PROTEIN CNRR, ZINC ION | 著者 | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | 登録日 | 2010-12-20 | 公開日 | 2011-03-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
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3VD3
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![BU of 3vd3 by Molmil](/molmil-images/mine/3vd3) | E. coli (lacZ) beta-galactosidase (N460D) | 分子名称: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | 登録日 | 2012-01-04 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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5JII
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![BU of 5jii by Molmil](/molmil-images/mine/5jii) | Crystal structure of human IgG1-Fc | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ig gamma-1 chain C region, ... | 著者 | Humm, A, Lobner, E, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | 登録日 | 2016-04-22 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies. Structure, 25, 2017
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4PA4
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![BU of 4pa4 by Molmil](/molmil-images/mine/4pa4) | Structure of NavMS in complex with channel blocking compound | 分子名称: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | 著者 | Naylor, C.E, Bagneris, C, Wallace, B.A. | 登録日 | 2014-04-07 | 公開日 | 2014-06-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4RUS
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![BU of 4rus by Molmil](/molmil-images/mine/4rus) | Carp Fishelectin, holo form | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L. | 登録日 | 2014-11-21 | 公開日 | 2015-04-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Three-dimensional structure and ligand-binding site of carp fishelectin (FEL). Acta Crystallogr.,Sect.D, 71, 2015
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7KIO
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![BU of 7kio by Molmil](/molmil-images/mine/7kio) | Crystal structure of inositol polyphosphate 1-phosphatase (INPP1) D54A mutant | 分子名称: | CALCIUM ION, Inositol polyphosphate 1-phosphatase, SULFATE ION | 著者 | Xiong, J.-P, Dollins, D.E, Ren, Y, York, J.D. | 登録日 | 2020-10-24 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A structural basis for lithium and substrate binding of an inositide phosphatase. J.Biol.Chem., 296, 2020
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7UTY
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![BU of 7uty by Molmil](/molmil-images/mine/7uty) | First bromodomain of BRD4 liganded with compound 2c | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 著者 | Schonbrunn, E, Chan, A. | 登録日 | 2022-04-28 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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3LZO
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![BU of 3lzo by Molmil](/molmil-images/mine/3lzo) | Crystal Structure Analysis of the copper-reconstituted P19 protein from Campylobacter jejuni at 1.65 A at pH 10.0 | 分子名称: | COPPER (II) ION, P19 protein, SULFATE ION | 著者 | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | 登録日 | 2010-03-01 | 公開日 | 2010-07-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni. J.Mol.Biol., 401, 2010
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6FD7
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7UUU
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![BU of 7uuu by Molmil](/molmil-images/mine/7uuu) | First bromodomain of BRDT liganded with compound 2c | 分子名称: | 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 著者 | Schonbrunn, E, Chan, A. | 登録日 | 2022-04-29 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
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2XFU
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![BU of 2xfu by Molmil](/molmil-images/mine/2xfu) | Human monoamine oxidase B with tranylcypromine | 分子名称: | 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE | 著者 | Binda, C, Li, M, Hubalek, F, Restelli, N, Edmondson, D.E, Mattevi, A. | 登録日 | 2010-05-26 | 公開日 | 2010-06-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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8R7G
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![BU of 8r7g by Molmil](/molmil-images/mine/8r7g) | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | 分子名称: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | 著者 | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | 登録日 | 2023-11-24 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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3OZU
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![BU of 3ozu by Molmil](/molmil-images/mine/3ozu) | The Crystal Structure of flavohemoglobin from R. eutrophus in complex with miconazole | 分子名称: | 1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ... | 著者 | El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L. | 登録日 | 2010-09-27 | 公開日 | 2011-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds. Biochemistry, 50, 2011
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4MX9
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![BU of 4mx9 by Molmil](/molmil-images/mine/4mx9) | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | 分子名称: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | 著者 | Merritt, E.A. | 登録日 | 2013-09-26 | 公開日 | 2013-10-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4YC6
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![BU of 4yc6 by Molmil](/molmil-images/mine/4yc6) | CDK1/CKS1 | 分子名称: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1 | 著者 | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | 登録日 | 2015-02-19 | 公開日 | 2015-05-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK. Nat Commun, 6, 2015
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3M3I
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6FCV
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![BU of 6fcv by Molmil](/molmil-images/mine/6fcv) | Structure of the human DDB1-CSA complex | 分子名称: | DNA damage-binding protein 1, DNA excision repair protein ERCC-8 | 著者 | Meulenbroek, E.M, Pannu, N.S. | 登録日 | 2017-12-21 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | TRiC controls transcription resumption after UV damage by regulating Cockayne syndrome protein A. Nat Commun, 9, 2018
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4YJ3
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![BU of 4yj3 by Molmil](/molmil-images/mine/4yj3) | Crystal structure of tubulin bound to compound 2 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, CALCIUM ION, ... | 著者 | McNamara, D.E, Torres, J.Z, Yeates, T.O. | 登録日 | 2015-03-03 | 公開日 | 2015-05-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.75 Å) | 主引用文献 | Structures of potent anticancer compounds bound to tubulin. Protein Sci., 24, 2015
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7KWH
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![BU of 7kwh by Molmil](/molmil-images/mine/7kwh) | Spermidine N-acetyltransferase SpeG K23-Y30 chimera from Vibrio cholerae and hSSAT | 分子名称: | PHOSPHATE ION, Spermidine N(1)-acetyltransferase | 著者 | Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K. | 登録日 | 2020-12-01 | 公開日 | 2020-12-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity. Front Mol Biosci, 8, 2021
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5CSU
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![BU of 5csu by Molmil](/molmil-images/mine/5csu) | Disproportionating enzyme 1 from Arabidopsis - acarviostatin soak | 分子名称: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | 著者 | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | 登録日 | 2015-07-23 | 公開日 | 2015-11-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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