2I0Q
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7JMT
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![BU of 7jmt by Molmil](/molmil-images/mine/7jmt) | Crystal structure of schistosome BCL-2 bound to ABT-737 | 分子名称: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein | 著者 | Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D. | 登録日 | 2020-08-02 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
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2X15
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![BU of 2x15 by Molmil](/molmil-images/mine/2x15) | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP and 1,3- bisphosphoglycerate | 分子名称: | 1,3-BISPHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hounslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | 登録日 | 2009-12-21 | 公開日 | 2011-02-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analoges To be Published
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6CI6
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![BU of 6ci6 by Molmil](/molmil-images/mine/6ci6) | Crystal structure of equine serum albumin in complex with nabumetone | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ... | 著者 | Venkataramany, B.S, Czub, M.P, Shabalin, I.G, Handing, K.B, Steen, E.H, Cooper, D.R, Joachimiak, A, Satchell, K.J.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-02-23 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 2020
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4AKP
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![BU of 4akp by Molmil](/molmil-images/mine/4akp) | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498T mutant | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | 著者 | Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | 登録日 | 2012-02-28 | 公開日 | 2012-03-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis. Dalton Trans, 39, 2010
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3NM3
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![BU of 3nm3 by Molmil](/molmil-images/mine/3nm3) | The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | 分子名称: | MAGNESIUM ION, PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, ... | 著者 | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | 登録日 | 2010-06-21 | 公開日 | 2010-11-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | 主引用文献 | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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2NTC
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2WZC
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![BU of 2wzc by Molmil](/molmil-images/mine/2wzc) | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and aluminium tetrafluoride | 分子名称: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | 著者 | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | 登録日 | 2009-11-27 | 公開日 | 2010-04-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis. J.Am.Chem.Soc., 132, 2010
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4I5P
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![BU of 4i5p by Molmil](/molmil-images/mine/4i5p) | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | 分子名称: | (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 | 著者 | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P. | 登録日 | 2012-11-28 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.738 Å) | 主引用文献 | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
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3NK7
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![BU of 3nk7 by Molmil](/molmil-images/mine/3nk7) | Structure of the Nosiheptide-resistance methyltransferase S-adenosyl-L-methionine Complex | 分子名称: | 23S rRNA methyltransferase, S-ADENOSYLMETHIONINE | 著者 | Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y. | 登録日 | 2010-06-18 | 公開日 | 2010-07-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus Biochemistry, 49, 2010
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5BP2
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![BU of 5bp2 by Molmil](/molmil-images/mine/5bp2) | Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 1 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. | 登録日 | 2015-05-27 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases. Nature, 531, 2016
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4NZC
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![BU of 4nzc by Molmil](/molmil-images/mine/4nzc) | Crystal structure of Chitinase D from Serratia proteamaculans at 1.45 Angstrom resolution | 分子名称: | ACETATE ION, GLYCEROL, Glycoside hydrolase family 18 | 著者 | Madhuprakash, J, Singh, A, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Podile, A.R, Singh, T.P. | 登録日 | 2013-12-12 | 公開日 | 2014-01-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure of chitinase D from Serratia proteamaculans reveals the structural basis of its dual action of hydrolysis and transglycosylation Int J Biochem Mol Biol, 4, 2013
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2X14
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![BU of 2x14 by Molmil](/molmil-images/mine/2x14) | The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG | 分子名称: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ... | 著者 | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | 登録日 | 2009-12-21 | 公開日 | 2010-12-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analogues To be Published
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6H0Y
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![BU of 6h0y by Molmil](/molmil-images/mine/6h0y) | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022 | 分子名称: | (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide, 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, ... | 著者 | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | 登録日 | 2018-07-10 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.212 Å) | 主引用文献 | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022 To be published
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6CRD
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![BU of 6crd by Molmil](/molmil-images/mine/6crd) | INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) with tetrabrachion (TB) domain stalk | 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, Tetrabrachion,Neuraminidase, ... | 著者 | Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J. | 登録日 | 2018-03-16 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk. Acta Crystallogr.,Sect.F, 75, 2019
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2X7L
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![BU of 2x7l by Molmil](/molmil-images/mine/2x7l) | Implications of the HIV-1 Rev dimer structure at 3.2A resolution for multimeric binding to the Rev response element | 分子名称: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, PROTEIN REV | 著者 | DiMattia, M.A, Watts, N.R, Stahl, S.J, Rader, C, Wingfield, P.T, Stuart, D.I, Steven, A.C, Grimes, J.M. | 登録日 | 2010-03-01 | 公開日 | 2010-03-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | Implications of the HIV-1 Rev Dimer Structure at 3. 2 A Resolution for Multimeric Binding to the Rev Response Element. Proc.Natl.Acad.Sci.USA, 107, 2010
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5E8E
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![BU of 5e8e by Molmil](/molmil-images/mine/5e8e) | Crystal structure of thrombin bound to an exosite 1-specific IgA Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | 著者 | Baglin, T.P, Langdown, J, Frasson, R, Huntington, J.A. | 登録日 | 2015-10-14 | 公開日 | 2015-10-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and characterization of an antibody directed against exosite I of thrombin. J.Thromb.Haemost., 14, 2016
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4BZV
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![BU of 4bzv by Molmil](/molmil-images/mine/4bzv) | The Solution Structure of the MLN 944-d(TACGCGTA)2 complex | 分子名称: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | 著者 | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | 登録日 | 2013-07-30 | 公開日 | 2013-08-21 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended. Biopolymers, 101, 2014
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3G9Y
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![BU of 3g9y by Molmil](/molmil-images/mine/3g9y) | Crystal structure of the second zinc finger from ZRANB2/ZNF265 bound to 6 nt ssRNA sequence AGGUAA | 分子名称: | RNA (5'-R(*AP*GP*GP*UP*AP*A)-3'), ZINC ION, Zinc finger Ran-binding domain-containing protein 2 | 著者 | Loughlin, F.E, McGrath, A.P, Lee, M, Guss, J.M, Mackay, J.P. | 登録日 | 2009-02-15 | 公開日 | 2009-03-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The zinc fingers of the SR-like protein ZRANB2 are single-stranded RNA-binding domains that recognize 5' splice site-like sequences Proc.Natl.Acad.Sci.USA, 106, 2009
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2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | 分子名称: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | 著者 | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | 登録日 | 2010-02-26 | 公開日 | 2010-07-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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4BZT
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![BU of 4bzt by Molmil](/molmil-images/mine/4bzt) | The Solution Structure of the MLN 944-d(ATGCAT)2 Complex | 分子名称: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | 著者 | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | 登録日 | 2013-07-30 | 公開日 | 2013-08-21 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended. Biopolymers, 101, 2014
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6CSB
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![BU of 6csb by Molmil](/molmil-images/mine/6csb) | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | 分子名称: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | 著者 | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | 登録日 | 2018-03-20 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | 主引用文献 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding To Be Published
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1O4N
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![BU of 1o4n by Molmil](/molmil-images/mine/1o4n) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH OXALIC ACID. | 分子名称: | OXALIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | 著者 | Lange, G, Loenze, P, Liesum, A. | 登録日 | 2003-06-15 | 公開日 | 2004-02-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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1IH4
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6CVU
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![BU of 6cvu by Molmil](/molmil-images/mine/6cvu) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine | 分子名称: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | 著者 | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | 登録日 | 2018-03-28 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.426 Å) | 主引用文献 | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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