5TFU
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![BU of 5tfu by Molmil](/molmil-images/mine/5tfu) | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | 分子名称: | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Hsu, M.H, Johnson, E.F. | 登録日 | 2016-09-26 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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1K8K
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![BU of 1k8k by Molmil](/molmil-images/mine/1k8k) | Crystal Structure of Arp2/3 Complex | 分子名称: | ACTIN-LIKE PROTEIN 2, ACTIN-LIKE PROTEIN 3, ARP2/3 COMPLEX 16 KDA SUBUNIT, ... | 著者 | Robinson, R.C, Turbedsky, K, Kaiser, D.A, Higgs, H.N, Marchand, J.-B, Choe, S, Pollard, T.D. | 登録日 | 2001-10-24 | 公開日 | 2001-12-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of Arp2/3 Complex Science, 294, 2001
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8QX8
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![BU of 8qx8 by Molmil](/molmil-images/mine/8qx8) | Endosomal membrane tethering complex CORVET | 分子名称: | E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar protein sorting-associated protein 16, ... | 著者 | Shvarev, D, Ungermann, C, Moeller, A. | 登録日 | 2023-10-23 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Structure of the endosomal CORVET tethering complex. Nat Commun, 15, 2024
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4JT9
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![BU of 4jt9 by Molmil](/molmil-images/mine/4jt9) | Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide] | 分子名称: | 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, GLYCEROL, NAD-dependent protein deacetylase sirtuin-3, ... | 著者 | Dai, H. | 登録日 | 2013-03-22 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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5UKP
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5UKN
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5UKR
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5UKO
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7A5X
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![BU of 7a5x by Molmil](/molmil-images/mine/7a5x) | Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA derivatized with a PEG linker on the glycerol group. | 分子名称: | (4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | 著者 | Bridot, C, Bouckaert, J. | 登録日 | 2020-08-24 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Polyvalent Transition-State Analogues of Sialyl Substrates Strongly Inhibit Bacterial Sialidases*. Chemistry, 27, 2021
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7QJT
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![BU of 7qjt by Molmil](/molmil-images/mine/7qjt) | Crystal structure of a cutinase enzyme from Thermobifida cellulosilytica TB100 (711) | 分子名称: | GLYCEROL, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... | 著者 | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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5UKQ
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7QJM
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7QJO
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7QJN
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![BU of 7qjn by Molmil](/molmil-images/mine/7qjn) | Crystal structure of an alpha/beta-hydrolase enzyme from Candidatus Kryptobacter tengchongensis (306) | 分子名称: | Dienelactone hydrolase, PHOSPHATE ION | 著者 | Zahn, M, Gill, R.S, Erickson, E, Beckham, G.T, McGeehan, J.E. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.885 Å) | 主引用文献 | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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7QJS
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![BU of 7qjs by Molmil](/molmil-images/mine/7qjs) | Crystal structure of a cutinase enzyme from Thermobifida fusca YX (705) | 分子名称: | Cutinase 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.429 Å) | 主引用文献 | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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4JT8
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![BU of 4jt8 by Molmil](/molmil-images/mine/4jt8) | Crystal Structure of human SIRT3 with ELT inhibitor 28 [4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide[ | 分子名称: | 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | 著者 | Dai, H. | 登録日 | 2013-03-22 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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7BHD
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![BU of 7bhd by Molmil](/molmil-images/mine/7bhd) | FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group | 分子名称: | NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ... | 著者 | Bridot, C, Bouckaert, J, Krammer, E.-M. | 登録日 | 2021-01-11 | 公開日 | 2022-07-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors. J.Biol.Chem., 299, 2023
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2R9L
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![BU of 2r9l by Molmil](/molmil-images/mine/2r9l) | Polymerase Domain from Mycobacterium tuberculosis Ligase D in complex with DNA | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*DGP*DCP*DCP*DGP*DCP*DAP*DAP*DCP*DGP*DCP*DA)-3'), ... | 著者 | Brissett, N.C, Fox, G.C, Pitcher, R.S, Doherty, A.J. | 登録日 | 2007-09-13 | 公開日 | 2008-01-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of a NHEJ polymerase-mediated DNA synaptic complex Science, 318, 2007
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4JSR
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![BU of 4jsr by Molmil](/molmil-images/mine/4jsr) | Crystal Structure of human SIRT3 with ELT inhibitor 11c [N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide] | 分子名称: | N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | 著者 | Dai, H. | 登録日 | 2013-03-22 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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2IRX
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2IRU
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2IRY
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6U6O
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![BU of 6u6o by Molmil](/molmil-images/mine/6u6o) | Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH846 | 分子名称: | DH846 Fab heavy chain, DH846 Fab light chain | 著者 | Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G. | 登録日 | 2019-08-30 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.806 Å) | 主引用文献 | Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates. Plos Pathog., 17, 2021
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6U6M
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![BU of 6u6m by Molmil](/molmil-images/mine/6u6m) | Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH840.1 | 分子名称: | DH840.1 Fab heavy chain, DH840.1 Fab light chain | 著者 | Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G. | 登録日 | 2019-08-30 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.683 Å) | 主引用文献 | Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates. Plos Pathog., 17, 2021
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6MSC
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![BU of 6msc by Molmil](/molmil-images/mine/6msc) | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | 分子名称: | 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Jakob, C.G. | 登録日 | 2018-10-16 | 公開日 | 2019-01-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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