5HNL
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![BU of 5hnl by Molmil](/molmil-images/mine/5hnl) | In-house X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels | 分子名称: | Lysozyme C | 著者 | Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T. | 登録日 | 2016-01-18 | 公開日 | 2016-07-20 | 実験手法 | X-RAY DIFFRACTION (2.424 Å) | 主引用文献 | Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels. Acta Crystallogr D Struct Biol, 72, 2016
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3X2O
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![BU of 3x2o by Molmil](/molmil-images/mine/3x2o) | Neutron and X-ray joint refined structure of PcCel45A apo form at 298K. | 分子名称: | Endoglucanase V-like protein | 著者 | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | 登録日 | 2014-12-22 | 公開日 | 2015-10-07 | 最終更新日 | 2019-12-18 | 実験手法 | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2P
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![BU of 3x2p by Molmil](/molmil-images/mine/3x2p) | Neutron and X-ray joint refined structure of PcCel45A with cellopentaose at 298K. | 分子名称: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | 登録日 | 2014-12-22 | 公開日 | 2015-10-14 | 最終更新日 | 2020-07-29 | 実験手法 | NEUTRON DIFFRACTION (1.518 Å), X-RAY DIFFRACTION | 主引用文献 | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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5F31
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![BU of 5f31 by Molmil](/molmil-images/mine/5f31) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | 分子名称: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F2Z
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![BU of 5f2z by Molmil](/molmil-images/mine/5f2z) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | 分子名称: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F2T
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![BU of 5f2t by Molmil](/molmil-images/mine/5f2t) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | 分子名称: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F34
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![BU of 5f34 by Molmil](/molmil-images/mine/5f34) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with S-hexadecyl Coenzyme A - P21 space group | 分子名称: | Phosphatidylinositol mannoside acyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.281 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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8I4D
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![BU of 8i4d by Molmil](/molmil-images/mine/8i4d) | X-ray structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex at 100K | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | 著者 | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | 登録日 | 2023-01-19 | 公開日 | 2024-01-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography. J.Biol.Chem., 300, 2024
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3A38
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![BU of 3a38 by Molmil](/molmil-images/mine/3a38) | Crystal structure of high-potential iron-sulfur protein from Thermochromatium tepidum at 0.7 angstrom resolution | 分子名称: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | 著者 | Takeda, K, Kusumoto, K, Hirano, Y, Miki, K. | 登録日 | 2009-06-10 | 公開日 | 2010-01-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (0.7 Å) | 主引用文献 | Detailed assessment of X-ray induced structural perturbation in a crystalline state protein. J.Struct.Biol., 169, 2010
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7YQS
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![BU of 7yqs by Molmil](/molmil-images/mine/7yqs) | Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | 著者 | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | 登録日 | 2022-08-08 | 公開日 | 2023-08-09 | 最終更新日 | 2024-03-27 | 実験手法 | NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION | 主引用文献 | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography. J.Biol.Chem., 300, 2024
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3A39
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![BU of 3a39 by Molmil](/molmil-images/mine/3a39) | Crystal Structure of High-Potential Iron-Sulfur Protein from Thermochromatium tepidum at 0.72 angstrom resolution | 分子名称: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | 著者 | Takeda, K, Kusumoto, K, Hirano, Y, Miki, K. | 登録日 | 2009-06-11 | 公開日 | 2009-10-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (0.72 Å) | 主引用文献 | Detailed assessment of X-ray induced structural perturbation in a crystalline state protein. J.Struct.Biol., 169, 2010
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5CG5
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![BU of 5cg5 by Molmil](/molmil-images/mine/5cg5) | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION | 著者 | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | 登録日 | 2015-07-09 | 公開日 | 2015-10-14 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION | 主引用文献 | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
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2CZP
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![BU of 2czp by Molmil](/molmil-images/mine/2czp) | Structural analysis of membrane-bound mastoparan-X by solid-state NMR | 分子名称: | Mastoparan X | 著者 | Todokoro, Y, Fujiwara, T, Yumen, I, Fukushima, K, Kang, S.-W, Park, J.-S, Kohno, T, Wakamatsu, K, Akutsu, H. | 登録日 | 2005-07-14 | 公開日 | 2006-07-04 | 最終更新日 | 2022-03-09 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Structure of tightly membrane-bound mastoparan-x, a g-protein-activating Peptide, determined by solid-state NMR. Biophys.J., 91, 2006
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5CG6
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![BU of 5cg6 by Molmil](/molmil-images/mine/5cg6) | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate | 分子名称: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | 著者 | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | 登録日 | 2015-07-09 | 公開日 | 2015-10-14 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
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6KK8
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![BU of 6kk8 by Molmil](/molmil-images/mine/6kk8) | XN joint refinement of manganese catalase from Thermus Thermophilus HB27 | 分子名称: | 1,2-ETHANEDIOL, MANGANESE (III) ION, OXYGEN ATOM, ... | 著者 | Yamada, T, Yano, N, Kusaka, K. | 登録日 | 2019-07-24 | 公開日 | 2019-09-04 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.37 Å), X-RAY DIFFRACTION | 主引用文献 | Single-crystal time-of-flight neutron Laue methods: application to manganese catalase from Thermus thermophilus HB27 J.Appl.Crystallogr., 2019
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7VEI
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![BU of 7vei by Molmil](/molmil-images/mine/7vei) | Neutron structure of D2O-solvent lysozyme | 分子名称: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | 著者 | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | 登録日 | 2021-09-08 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | NEUTRON DIFFRACTION (2 Å) | 主引用文献 | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7FCW
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![BU of 7fcw by Molmil](/molmil-images/mine/7fcw) | X-ray structure of H2O-solvent lysozyme | 分子名称: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | 著者 | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | 登録日 | 2021-07-15 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7FCU
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![BU of 7fcu by Molmil](/molmil-images/mine/7fcu) | X-ray structure of D2O-solvent lysozyme | 分子名称: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | 著者 | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | 登録日 | 2021-07-15 | 公開日 | 2022-04-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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3WBL
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![BU of 3wbl by Molmil](/molmil-images/mine/3wbl) | Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor | 分子名称: | ACETATE ION, Cyclin-dependent kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine | 著者 | Fujino, A, Fukushima, K, Kubota, T, Kosugi, T, Takimoto-Kamimura, M. | 登録日 | 2013-05-20 | 公開日 | 2013-10-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of human cyclin-dependent kinase-2 complex with MK2 inhibitor TEI-I01800: insight into the selectivity. J.SYNCHROTRON RADIAT., 20, 2013
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3WI6
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![BU of 3wi6 by Molmil](/molmil-images/mine/3wi6) | Crystal structure of MAPKAP Kinase-2 (MK2) in complex with non-selective inhibitor | 分子名称: | MAP kinase-activated protein kinase 2, N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine | 著者 | Fujino, A, Fukushima, K, Kubota, T, Matsumoto, Y, Takimoto-Kamimura, M. | 登録日 | 2013-09-06 | 公開日 | 2013-12-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Structure of the beta-form of human MK2 in complex with the non-selective kinase inhibitor TEI-L03090 Acta Crystallogr.,Sect.F, 69, 2013
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2Z7F
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![BU of 2z7f by Molmil](/molmil-images/mine/2z7f) | |
2GEJ
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![BU of 2gej by Molmil](/molmil-images/mine/2gej) | Crystal Structure of phosphatidylinositol mannosyltransferase (PimA) from Mycobacterium smegmatis in complex with GDP-Man | 分子名称: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, PHOSPHATIDYLINOSITOL MANNOSYLTRANSFERASE (PimA) | 著者 | Guerin, M.E, Buschiazzo, A, Kordulakova, J, Jackson, M, Alzari, P.M. | 登録日 | 2006-03-20 | 公開日 | 2007-04-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Molecular recognition and interfacial catalysis by the essential phosphatidylinositol mannosyltransferase PimA from mycobacteria. J.Biol.Chem., 282, 2007
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7YK9
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![BU of 7yk9 by Molmil](/molmil-images/mine/7yk9) | Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature | 分子名称: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase | 著者 | Unno, M, Igarashi, K. | 登録日 | 2022-07-22 | 公開日 | 2023-01-25 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states. J.Biol.Chem., 299, 2022
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7YKB
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![BU of 7ykb by Molmil](/molmil-images/mine/7ykb) | Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature | 分子名称: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION | 著者 | Unno, M, Nanasawa, R. | 登録日 | 2022-07-22 | 公開日 | 2023-01-25 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION | 主引用文献 | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states. J.Biol.Chem., 299, 2022
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5KOQ
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![BU of 5koq by Molmil](/molmil-images/mine/5koq) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | 登録日 | 2016-07-01 | 公開日 | 2016-11-02 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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