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
 | | 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
 | | 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
 | | 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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3QCH
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3QCE
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3QCG
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3QCF
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3QCM
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3QCK
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3QCI
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3QCD
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3QCJ
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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