3KKK
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3KS2
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5ZF2
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7Y8L
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![BU of 7y8l by Molmil](/molmil-images/mine/7y8l) | Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole | 分子名称: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | 登録日 | 2022-06-24 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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4JBV
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4YZJ
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7Y8K
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![BU of 7y8k by Molmil](/molmil-images/mine/7y8k) | Structure of ScIRED wild-type from Streptomyces clavuligerus | 分子名称: | Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase | 著者 | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | 登録日 | 2022-06-24 | 公開日 | 2023-03-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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7Y8N
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![BU of 7y8n by Molmil](/molmil-images/mine/7y8n) | Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole | 分子名称: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ... | 著者 | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | 登録日 | 2022-06-24 | 公開日 | 2023-05-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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3CID
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![BU of 3cid by Molmil](/molmil-images/mine/3cid) | Structure of BACE Bound to SCH726222 | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2008-03-11 | 公開日 | 2008-06-10 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3CIB
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![BU of 3cib by Molmil](/molmil-images/mine/3cib) | Structure of BACE Bound to SCH727596 | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2008-03-11 | 公開日 | 2008-06-10 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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4YZL
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![BU of 4yzl by Molmil](/molmil-images/mine/4yzl) | Crystal structure of the indole prenyltransferase TleC complexed with indolactam V and DMSPP | 分子名称: | (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Tryptophan dimethylallyltransferase | 著者 | Mori, T, Morita, H, Abe, I. | 登録日 | 2015-03-25 | 公開日 | 2016-03-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.096 Å) | 主引用文献 | Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases. Nat Commun, 7, 2016
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5JD2
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![BU of 5jd2 by Molmil](/molmil-images/mine/5jd2) | SFX structure of corestreptavidin-selenobiotin complex | 分子名称: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid, Streptavidin | 著者 | DeMirci, H, Hunter, M.S, Boutet, S. | 登録日 | 2016-04-15 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser. Nat Commun, 7, 2016
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5IQK
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![BU of 5iqk by Molmil](/molmil-images/mine/5iqk) | Rm3 metallo-beta-lactamase | 分子名称: | ZINC ION, beta-lactamase Rm3 | 著者 | Salimraj, R, Spencer, J. | 登録日 | 2016-03-10 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study. Antimicrob.Agents Chemother., 60, 2016
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5B25
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![BU of 5b25 by Molmil](/molmil-images/mine/5b25) | Crystal structure of human PDE1B with inhibitor 3 | 分子名称: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | 著者 | Ida, K, Lane, W, Snell, G, Sogabe, S. | 登録日 | 2016-01-07 | 公開日 | 2016-02-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
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2QN1
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![BU of 2qn1 by Molmil](/molmil-images/mine/2qn1) | Glycogen Phosphorylase b in complex with asiatic acid | 分子名称: | Glycogen phosphorylase, muscle form, asiatic acid | 著者 | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | 登録日 | 2007-07-17 | 公開日 | 2008-06-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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3CIC
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![BU of 3cic by Molmil](/molmil-images/mine/3cic) | Structure of BACE Bound to SCH709583 | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2008-03-11 | 公開日 | 2008-06-10 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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2QN2
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![BU of 2qn2 by Molmil](/molmil-images/mine/2qn2) | Glycogen Phosphorylase b in complex with Maslinic Acid | 分子名称: | Glycogen phosphorylase, muscle form, maslinic acid | 著者 | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | 登録日 | 2007-07-17 | 公開日 | 2008-06-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | 主引用文献 | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies J.Med.Chem., 51, 2008
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6ONY
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![BU of 6ony by Molmil](/molmil-images/mine/6ony) | BRD2_Bromodomain1 complex with inhibitor 744 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | 著者 | Longenecker, K.L, Bigelow, L. | 登録日 | 2019-04-22 | 公開日 | 2020-01-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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6FIV
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![BU of 6fiv by Molmil](/molmil-images/mine/6fiv) | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | 分子名称: | RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | 著者 | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | 登録日 | 1998-12-02 | 公開日 | 1998-12-09 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease Proteins, 38, 2000
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2HH7
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7YQE
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5Z0Q
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![BU of 5z0q by Molmil](/molmil-images/mine/5z0q) | Crystal Structure of OvoB | 分子名称: | Aminotransferase, class I and II, PYRIDOXAL-5'-PHOSPHATE | 著者 | Cai, Y.J, Huang, P, Wu, L, Zhou, J.H, Liu, P.H. | 登録日 | 2017-12-20 | 公開日 | 2018-11-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions. Org. Lett., 20, 2018
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4MC9
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![BU of 4mc9 by Molmil](/molmil-images/mine/4mc9) | HIV protease in complex with AA74 | 分子名称: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | 登録日 | 2013-08-21 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
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8G1Z
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8G20
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