9GIL
 
 | | Crystal structure of SARS-CoV-2 Mpro with compound 12 | | 分子名称: | (7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.0^{3,7}]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | 著者 | Schmitt, A, Preuss, F, Prasad, A, Maskos, K, Wang, X, Gotchev, D, Konz Makino, D.L. | | 登録日 | 2024-08-19 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M pro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants.
J.Med.Chem., 2024
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9GCS
 | | Rho-ATP-Psu complex II | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polarity suppression protein, ... | | 著者 | Gjorgjevikj, D, Wahl, M.C, Hilal, T, Loll, B. | | 登録日 | 2024-08-02 | | 公開日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Rho-ATP-Psu complex II
To Be Published
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9GCU
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9D5V
 | | Nitrile hydratase S112D mutant | | 分子名称: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta, GLYCEROL | | 著者 | Miller, C.G, Liu, D, Holz, R.C. | | 登録日 | 2024-08-14 | | 公開日 | 2024-11-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Catalytic and post-translational maturation roles of a conserved active site serine residue in nitrile hydratases.
J.Inorg.Biochem., 262, 2024
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9DVG
 | | A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion | | 分子名称: | Transcription factor ETV6,DARPin | | 著者 | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D. | | 登録日 | 2024-10-07 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.54 Å) | | 主引用文献 | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
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9J1T
 | | Structure of a triple-helix region of human Collagen type IV from Trautec | | 分子名称: | GLYCEROL, Triple-helix region of human collagen type IV | | 著者 | Fan, X, Chu, Y, Zhai, Y, Fu, S, Li, D, Feng, P, Cao, K, Wu, X, Cai, H, Wang, H, Qian, S. | | 登録日 | 2024-08-05 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure of a triple-helix region of human Collagen type IV from Trautec
To Be Published
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9J23
 | | Structure of a triple-helix region of human Collagen type II from Trautec | | 分子名称: | Triple-helix region of human collagen type II | | 著者 | Fan, X, Zhai, Y, Chu, Y, Fu, S, Li, D, Feng, P, Cao, K, Li, J, Si, Y, Ma, L, Qian, S. | | 登録日 | 2024-08-06 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure of a triple-helix region of human Collagen type II from Trautec
To Be Published
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9J26
 | | Structure of a triple-helix region of human Collagen type IV from Trautec | | 分子名称: | Triple-helix region of human collagen type IV | | 著者 | Fan, X, Zhai, Y, Chu, Y, Fu, S, Li, D, Cao, K, Feng, P, Wu, X, Cai, H, Ma, L, Qian, S. | | 登録日 | 2024-08-06 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure of a triple-helix region of human Collagen type IV from Trautec
To Be Published
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9GFW
 | | HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-methylphenyl-boronic acid at pH 7.4 | | 分子名称: | (4-methylphenyl)-tris(oxidanyl)boron, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Alterio, V, De Simone, G, Esposito, D. | | 登録日 | 2024-08-12 | | 公開日 | 2024-11-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Exploring the binding mode of phenyl and vinyl boronic acids to human carbonic anhydrases.
Int.J.Biol.Macromol., 282, 2024
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9JDV
 | | Human URAT1 bound with Uric acid | | 分子名称: | Solute carrier family 22 member 12, URIC ACID | | 著者 | Wu, C, Zhang, C, Jin, S, Wang, J.J, Jiang, Y, Yang, D, Xu, H.E. | | 登録日 | 2024-09-01 | | 公開日 | 2024-10-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9JDY
 | | Human URAT1 bound with verinurad | | 分子名称: | Solute carrier family 22 member 12, verinurad | | 著者 | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | 登録日 | 2024-09-01 | | 公開日 | 2024-10-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9JE0
 | | Human URAT1 bound to benzbromarone | | 分子名称: | Solute carrier family 22 member 12, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | 著者 | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | 登録日 | 2024-09-01 | | 公開日 | 2024-10-16 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9JE1
 | | Human URAT1 bound to dotinurad | | 分子名称: | Solute carrier family 22 member 12, dotinurad | | 著者 | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | 登録日 | 2024-09-01 | | 公開日 | 2024-10-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9D5Y
 | | Nitrile hydratase S112T mutant | | 分子名称: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta, GLYCEROL | | 著者 | Miller, C.G, Holz, R.C, Liu, D. | | 登録日 | 2024-08-14 | | 公開日 | 2024-11-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Catalytic and post-translational maturation roles of a conserved active site serine residue in nitrile hydratases.
J.Inorg.Biochem., 262, 2024
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9D5U
 | | Nitrile hydratase S112A mutant | | 分子名称: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta, GLYCEROL | | 著者 | Miller, C.G, Holz, R.C, Liu, D. | | 登録日 | 2024-08-14 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Catalytic and post-translational maturation roles of a conserved active site serine residue in nitrile hydratases.
J.Inorg.Biochem., 262, 2024
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9JQW
 | | The Crystal Structure of LCC6-Active from Biortus | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Leaf-branch compost cutinase, ... | | 著者 | Wan, T, Wang, F, Lv, Z, Lin, D, Pan, W, Sang, C, Sun, J. | | 登録日 | 2024-09-28 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The Crystal Structure of LCC6-Active from Biortus
To Be Published
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9EWS
 | | Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations | | 分子名称: | 1-[3-pyridin-4-yl-2-[3-(2-pyrimidin-2-ylethynyl)phenyl]-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor, IODIDE ION | | 著者 | Hargreaves, D. | | 登録日 | 2024-04-04 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.435 Å) | | 主引用文献 | Optimization of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
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9FXF
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9GIJ
 | | Crystal structure of SARS-CoV-2 Mpro with compound 5 | | 分子名称: | (2~{R})-3-(4-chlorophenyl)-2-[2-[(2~{R})-1-isoquinolin-4-ylcarbonylpyrrolidin-2-yl]ethanoyl-methyl-amino]-~{N}-methyl-propanamide, 3C-like proteinase nsp5 | | 著者 | Prasad, A, Schmitt, A, Preuss, F, Maskos, K, Wang, X, Gotchev, D, Konz Makino, D.L. | | 登録日 | 2024-08-19 | | 公開日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.476 Å) | | 主引用文献 | Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M pro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants.
J.Med.Chem., 2024
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1D4L
 | | HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR | | 分子名称: | (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE, HIV-1 PROTEASE, SULFATE ION | | 著者 | Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P. | | 登録日 | 1999-10-04 | | 公開日 | 2000-10-11 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
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6W7M
 | | 30S-Inactive-high-Mg2+ + carbon layer | | 分子名称: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | 著者 | Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J. | | 登録日 | 2020-03-19 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
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6W9S
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4U0M
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6VRD
 | | Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, RNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*(AS)P*(SC)P*(SC)P*(SC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), ... | | 著者 | Cho, Y.-J, Butler, D. | | 登録日 | 2020-02-07 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | | 主引用文献 | Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level
To Be Published
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6VZ6
 | | Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1) | | 分子名称: | Cytochrome b5-domain protein, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Teakel, S.L, Forwood, J.K, Aragao, D, Cahill, M.A, Marama, M. | | 登録日 | 2020-02-27 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
To Be Published
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