7M3Q
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![BU of 7m3q by Molmil](/molmil-images/mine/7m3q) | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV) | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ... | 著者 | Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S. | 登録日 | 2021-03-18 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV) To be published
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3BJM
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![BU of 3bjm by Molmil](/molmil-images/mine/3bjm) | Crystal structure of human DPP-IV in complex with (1S,3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1- YL)ACETYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (CAS), (1S,3S,5S)-2-((2S)-2-AMINO-2-(3-HYDROXYADAMANTAN-1- YL)ACETYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (IUPAC), OR BMS-477118 | 分子名称: | (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | 著者 | Klei, H.E. | 登録日 | 2007-12-04 | 公開日 | 2008-04-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Involvement of DPP-IV catalytic residues in enzyme-saxagliptin complex formation. Protein Sci., 17, 2008
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3ENS
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5X68
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![BU of 5x68 by Molmil](/molmil-images/mine/5x68) | Crystal Structure of Human KMO | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | 著者 | Kim, H.T, Hwang, K.Y. | 登録日 | 2017-02-21 | 公開日 | 2018-02-21 | 最終更新日 | 2018-05-02 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase Cell Chem Biol, 25, 2018
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5X6P
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3HPT
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![BU of 3hpt by Molmil](/molmil-images/mine/3hpt) | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | 分子名称: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | 登録日 | 2009-06-04 | 公開日 | 2009-11-17 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3QCL
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3QCC
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![BU of 3qcc by Molmil](/molmil-images/mine/3qcc) | |
3QCH
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3QCE
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3QCG
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![BU of 3qcg by Molmil](/molmil-images/mine/3qcg) | |
3QCF
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![BU of 3qcf by Molmil](/molmil-images/mine/3qcf) | |
3QCM
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![BU of 3qcm by Molmil](/molmil-images/mine/3qcm) | |
3QCK
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![BU of 3qck by Molmil](/molmil-images/mine/3qck) | |
3QCI
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![BU of 3qci by Molmil](/molmil-images/mine/3qci) | |
3QCD
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![BU of 3qcd by Molmil](/molmil-images/mine/3qcd) | |
3QCJ
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3QCB
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![BU of 3qcb by Molmil](/molmil-images/mine/3qcb) | Human receptor protein tyrosine phosphatase gamma, domain 1, apo | 分子名称: | Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION | 著者 | Sheriff, S. | 登録日 | 2011-01-16 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop J.Med.Chem., 54, 2011
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3QCN
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8FAL
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![BU of 8fal by Molmil](/molmil-images/mine/8fal) | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione | 分子名称: | 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Kohlbrand, A.J, Seo, H. | 登録日 | 2022-11-28 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs. Chem.Commun.(Camb.), 59, 2023
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8FAU
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![BU of 8fau by Molmil](/molmil-images/mine/8fau) | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione | 分子名称: | 4-phenyl-1,3-thiazole-2(3H)-thione, Carbonic anhydrase 2, SULFATE ION, ... | 著者 | Kohlbrand, A.J, Seo, H. | 登録日 | 2022-11-28 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs. Chem.Commun.(Camb.), 59, 2023
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1CUR
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![BU of 1cur by Molmil](/molmil-images/mine/1cur) | REDUCED RUSTICYANIN, NMR | 分子名称: | COPPER (II) ION, CU(I) RUSTICYANIN | 著者 | Botuyan, M.V, Dyson, H.J. | 登録日 | 1996-04-19 | 公開日 | 1996-11-08 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR solution structure of Cu(I) rusticyanin from Thiobacillus ferrooxidans: structural basis for the extreme acid stability and redox potential. J.Mol.Biol., 263, 1996
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8ITX
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![BU of 8itx by Molmil](/molmil-images/mine/8itx) | Crystal structure of human Galectin-3 in complex with small molecule inhibitor | 分子名称: | 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... | 著者 | Jinal, S, Ghosh, K. | 登録日 | 2023-03-23 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published
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8ITZ
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![BU of 8itz by Molmil](/molmil-images/mine/8itz) | Crystal structure of human Galectin-3 in complex with small molecule inhibitor | 分子名称: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... | 著者 | Jinal, S, Amit, K, Ghosh, K. | 登録日 | 2023-03-23 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published
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8IU1
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![BU of 8iu1 by Molmil](/molmil-images/mine/8iu1) | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | 分子名称: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, Galectin-3, MAGNESIUM ION | 著者 | Jinal, S, Amit, K, Ghosh, K. | 登録日 | 2023-03-23 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published
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