2X1R
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![BU of 2x1r by Molmil](/molmil-images/mine/2x1r) | Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase | 分子名称: | 3-(PROPYLSULFONYL)PROPANOIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ... | 著者 | Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Casteleijn, M.G, Neubauer, P, Salmon, L, Wierenga, R. | 登録日 | 2010-01-04 | 公開日 | 2010-01-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase Acta Crystallogr.,Sect.D, 66, 2010
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3ZJB
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![BU of 3zjb by Molmil](/molmil-images/mine/3zjb) | The structure of the TRAF domain of human TRAF4 | 分子名称: | CHLORIDE ION, TNF RECEPTOR-ASSOCIATED FACTOR 4 | 著者 | McEwen, A.G, Poussin-Courmontagne, P, Rousseau, A, Rogna, D, Nomine, Y, Rio, M.-C, Tomasetto, C, Alpy, F. | 登録日 | 2013-01-17 | 公開日 | 2013-12-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Traf4 is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell Migration. Plos Biol., 11, 2013
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5ZWK
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![BU of 5zwk by Molmil](/molmil-images/mine/5zwk) | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with fructose-1,6-bisphophate and AMP | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | 著者 | Yunyuan, H, Zeyuan, G, Junjie, Y, Ping, Y, Jian, W. | 登録日 | 2018-05-15 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Location of FBPase catalytic metal binding site: a combined experimental and theoretical study To Be Published
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6DQY
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1YW2
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![BU of 1yw2 by Molmil](/molmil-images/mine/1yw2) | Mutated Mus Musculus P38 Kinase (mP38) | 分子名称: | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14 | 著者 | Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J. | 登録日 | 2005-02-16 | 公開日 | 2005-05-10 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production. Bioorg.Med.Chem.Lett., 15, 2005
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6DUW
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![BU of 6duw by Molmil](/molmil-images/mine/6duw) | |
6DV1
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![BU of 6dv1 by Molmil](/molmil-images/mine/6dv1) | |
1ZKJ
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![BU of 1zkj by Molmil](/molmil-images/mine/1zkj) | Structural Basis for the Extended Substrate Spectrum of CMY-10, a Plasmid-Encoded Class C beta-lactamase | 分子名称: | ACETIC ACID, ZINC ION, extended-spectrum beta-lactamase | 著者 | Cha, S.S, Jung, H.I, An, Y.J, Lee, S.H. | 登録日 | 2005-05-03 | 公開日 | 2006-04-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural basis for the extended substrate spectrum of CMY-10, a plasmid-encoded class C beta-lactamase. Mol.Microbiol., 60, 2006
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1ZC3
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![BU of 1zc3 by Molmil](/molmil-images/mine/1zc3) | Crystal structure of the Ral-binding domain of Exo84 in complex with the active RalA | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Ral-A, ... | 著者 | Jin, R, Junutula, J.R, Matern, H.T, Ervin, K.E, Scheller, R.H, Brunger, A.T. | 登録日 | 2005-04-10 | 公開日 | 2005-06-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Exo84 and Sec5 are competitive regulatory Sec6/8 effectors to the RalA GTPase. Embo J., 24, 2005
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2XMP
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![BU of 2xmp by Molmil](/molmil-images/mine/2xmp) | Crystal structure of trehalose synthase TreT mutant E326A from P. horishiki in complex with UDP | 分子名称: | TREHALOSE-SYNTHASE TRET, URIDINE-5'-DIPHOSPHATE | 著者 | Song, H.-N, Jung, T.-Y, Yoon, S.-M, Lee, S.-B, Lim, M.-Y, Woo, E.-J. | 登録日 | 2010-07-29 | 公開日 | 2010-10-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Insights on the New Mechanism of Trehalose Synthesis by Trehalose Synthase Tret from Pyrococcus Horikoshii. J.Mol.Biol., 404, 2010
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1PQ9
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![BU of 1pq9 by Molmil](/molmil-images/mine/1pq9) | HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX | 分子名称: | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL, Oxysterols receptor LXR-beta, benzenesulfonic acid | 著者 | Farnegardh, M, Bonn, T, Sun, S, Ljunggren, J, Ahola, H, Wilhelmsson, A, Gustafsson, J.-A, Carlquist, M. | 登録日 | 2003-06-18 | 公開日 | 2003-09-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J.Biol.Chem., 278, 2003
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2ANO
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![BU of 2ano by Molmil](/molmil-images/mine/2ano) | Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17 | 分子名称: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE, Dihydrofolate reductase, MANGANESE (II) ION, ... | 著者 | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | 登録日 | 2005-08-11 | 公開日 | 2006-07-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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2AQ7
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![BU of 2aq7 by Molmil](/molmil-images/mine/2aq7) | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | 分子名称: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | 著者 | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | 登録日 | 2005-08-17 | 公開日 | 2006-01-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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2AQB
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![BU of 2aqb by Molmil](/molmil-images/mine/2aqb) | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | 分子名称: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | 著者 | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | 登録日 | 2005-08-17 | 公開日 | 2006-01-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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2BVR
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![BU of 2bvr by Molmil](/molmil-images/mine/2bvr) | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | 分子名称: | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE, ALPHA THROMBIN, HIRUDIN VARIANT-2 | 著者 | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | 登録日 | 2005-07-04 | 公開日 | 2006-10-25 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
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2BVS
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![BU of 2bvs by Molmil](/molmil-images/mine/2bvs) | Human thrombin complexed with fragment-based small molecules occupying the S1 pocket | 分子名称: | ALPHA THROMBIN, HIRUDIN VARIANT-2, N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | 著者 | Neumann, T, Junker, H.-D, Keil, O, Burkert, K, Ottleben, H, Gamer, J, Sekul, R, Deppe, H, Feurer, A, Tomandl, D, Metz, G. | 登録日 | 2005-07-04 | 公開日 | 2006-10-25 | 最終更新日 | 2016-12-21 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Discovery of Thrombin Inhibitor Fragments from Chemical Microarray Screening Lett.Drug Des.Discovery, 2, 2005
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8GOB
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![BU of 8gob by Molmil](/molmil-images/mine/8gob) | Crystal Structure of Glycerol Dehydrogenase in the presence of NAD+ | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Park, T, Hoang, H.N, Kang, J.Y, Park, J, Mun, S.A, Jin, M, Yang, J, Jung, C.-H, Eom, S.H. | 登録日 | 2022-08-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and functional insights into the flexible beta-hairpin of glycerol dehydrogenase. Febs J., 290, 2023
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8GOA
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![BU of 8goa by Molmil](/molmil-images/mine/8goa) | Crystal Structure of Glycerol Dehydrogenase in the absence of NAD+ | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycerol dehydrogenase, ZINC ION | 著者 | Park, T, Hoang, H.N, Kang, J.Y, Park, J, Mun, S.A, Jin, M, Yang, J, Jung, C.-H, Eom, S.H. | 登録日 | 2022-08-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural and functional insights into the flexible beta-hairpin of glycerol dehydrogenase. Febs J., 290, 2023
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8GN8
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2BT6
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![BU of 2bt6 by Molmil](/molmil-images/mine/2bt6) | Ru(bpy)2(mbpy)-Modified Bovine Adrenodoxin | 分子名称: | (4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE), ADRENODOXIN 1, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Halavaty, A, Mueller, J.J, Contzen, J, Jung, C, Hannemann, F, Bernhardt, R, Galander, M, Lendzian, F, Heinemann, U. | 登録日 | 2005-05-26 | 公開日 | 2006-01-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Light-Induced Reduction of Bovine Adrenodoxin Via the Covalently Bound Ruthenium(II) Bipyridyl Complex: Intramolecular Electron Transfer and Crystal Structure. Biochemistry, 45, 2006
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6KBY
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![BU of 6kby by Molmil](/molmil-images/mine/6kby) | Crystal structure of a class C beta lactamase in complex with AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, Beta-lactamase | 著者 | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | 登録日 | 2019-06-26 | 公開日 | 2019-10-16 | 最終更新日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (1.097 Å) | 主引用文献 | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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2ANQ
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![BU of 2anq by Molmil](/molmil-images/mine/2anq) | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | 分子名称: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | 著者 | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | 登録日 | 2005-08-11 | 公開日 | 2006-07-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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6K8X
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![BU of 6k8x by Molmil](/molmil-images/mine/6k8x) | Crystal structure of a class C beta lactamase | 分子名称: | Beta-lactamase | 著者 | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | 登録日 | 2019-06-13 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1. Antimicrob.Agents Chemother., 63, 2019
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6K98
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![BU of 6k98 by Molmil](/molmil-images/mine/6k98) | Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family | 分子名称: | GH12 beta-1, 4-endoglucanase | 著者 | Hong, Y, Tao, T, Pengjun, S, Jiaming, C, Xiaoyu, W, Chen, H, yingguo, B, Bin, Y. | 登録日 | 2019-06-14 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.032 Å) | 主引用文献 | Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family To Be Published
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6K9D
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![BU of 6k9d by Molmil](/molmil-images/mine/6k9d) | glycoside hydrolase family 12 (GH12) englucanase | 分子名称: | GH12 beta-1, 4-endoglucanase | 著者 | Hong, Y, Tao, T, Pengjun, S, Jiaming, C, Xiaoyu, W, Chen, H, Yingguo, B, Bin, Y. | 登録日 | 2019-06-14 | 公開日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | 主引用文献 | Substrates promiscuity of xyloglucanases and endoglucanases of glycoside hydrolase 12 family To Be Published
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