2C21
 
 | | Specificity of the Trypanothione-dependednt Leishmania major Glyoxalase I: Structure and biochemical comparison with the human enzyme | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, ... | | 著者 | Ariza, A, Vickers, T.J, Greig, N, Armour, K.A, Eggleston, I.M, Fairlamb, A.H, Bond, C.S. | | 登録日 | 2005-09-23 | | 公開日 | 2006-02-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Specificity of the Trypanothione-Dependent Leishmania Major Glyoxalase I: Structure and Biochemical Comparison with the Human Enzyme.
Mol.Microbiol., 59, 2006
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7Q1K
 | | Crystal structure of the native AA9A LPMO from Thermoascus aurantiacus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | | 著者 | Yu, W, Mohsin, I, Li, D.C, Papageorgiou, A.C. | | 登録日 | 2021-10-20 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Purification and Structural Characterization of the Auxiliary Activity 9 Native Lytic Polysaccharide Monooxygenase from Thermoascus aurantiacus and Identification of Its C1- and C4-Oxidized Reaction Products
Catalysts, 12, 2022
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8JNO
 | | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF | | 分子名称: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-06 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7PHZ
 | | Crystal structure of X77 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P2(1)2(1)2(1). | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Costanzi, E, Demitri, N, Storici, P. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J.Chem.Inf.Model., 64, 2024
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2BPU
 | | The Kedge Holmium Derivative of Hen Egg-White Lysozyme at high resolution from Single Wavelength Anomalous Diffraction | | 分子名称: | CHLORIDE ION, HOLMIUM ATOM, LYSOZYME C, ... | | 著者 | Jakoncic, J, Di Michiel, M, Zhong, Z, Honkimaki, V, Jouanneau, Y, Stojanoff, V. | | 登録日 | 2005-04-25 | | 公開日 | 2006-08-24 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Anomalous Diffraction at Ultra-High Energy for Protein Crystallography.
J.Appl.Crystallogr., 39, 2006
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8EHE
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2DCT
 | | Crystal structure of the TT1209 from Thermus thermophilus HB8 | | 分子名称: | CHLORIDE ION, SODIUM ION, hypothetical protein TTHA0104 | | 著者 | Asada, Y, Sugahara, M, Shimizu, K, Yamamoto, H, Shimada, H, Nakamoto, T, Ono, N, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2006-01-12 | | 公開日 | 2006-01-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structure of the TT1209 from Thermus thermophilus HB8
To be Published
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7T7H
 | | Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with inhibitor CP100356 | | 分子名称: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine, DNA repair NTP-phosphohydrolase, SODIUM ION | | 著者 | Peters, J.K, Gross, J.D. | | 登録日 | 2021-12-15 | | 公開日 | 2022-06-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.78000259 Å) | | 主引用文献 | Fluorescence-Based Activity Screening Assay Reveals Small Molecule Inhibitors of Vaccinia Virus mRNA Decapping Enzyme D9.
Acs Chem.Biol., 17, 2022
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7POB
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | 分子名称: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | | 著者 | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | 登録日 | 2021-09-08 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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7TC5
 | | All Phe-Azurin variant - F15Y | | 分子名称: | Azurin, COPPER (II) ION, NITRATE ION, ... | | 著者 | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | | 登録日 | 2021-12-22 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins.
Inorg.Chem., 61, 2022
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7SQ4
 | | Designed trefoil knot protein, variant 2 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Designed trefoil knot protein, variant 2, ... | | 著者 | Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P. | | 登録日 | 2021-11-04 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.493 Å) | | 主引用文献 | De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
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7SQ3
 | | Designed trefoil knot protein, variant 1 | | 分子名称: | CHLORIDE ION, Designed trefoil knot protein, variant 1, ... | | 著者 | Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P. | | 登録日 | 2021-11-04 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.453 Å) | | 主引用文献 | De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
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7PVS
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7T1K
 | | Crystal structure of a superbinder Fes SH2 domain (sFes1) in complex with a high affinity phosphopeptide | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MALONATE ION, ... | | 著者 | Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | | 登録日 | 2021-12-02 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
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8JP0
 | | structure of human sodium-calciumexchanger NCX1 | | 分子名称: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1 | | 著者 | Dong, Y, Zhao, Y. | | 登録日 | 2023-06-09 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural insight into the allosteric inhibition of human sodium-calcium exchanger NCX1 by XIP and SEA0400.
Embo J., 43, 2024
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8ESX
 | | HIV protease in complex with benzoxaborolone analog of darunavir | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Windsor, I.W, Graham, B.J, Raines, R.T. | | 登録日 | 2022-10-15 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability.
Acs Med.Chem.Lett., 14, 2023
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7T1L
 | | Crystal structure of a superbinder Fes SH2 domain (sFesS) in complex with a high affinity phosphopeptide | | 分子名称: | CHLORIDE ION, SODIUM ION, Synthetic phosphotyrosine-containing Ezrin-derived peptide, ... | | 著者 | Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | | 登録日 | 2021-12-02 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
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2DEK
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7Q1R
 | | A de novo designed homo-dimeric antiparallel coiled coil apCC-Di | | 分子名称: | ETHANOL, SODIUM ION, apCC-Di | | 著者 | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | 登録日 | 2021-10-20 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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2DDD
 | | Unique behavior of a histidine responsible for an engineered green-to-red photoconversion process | | 分子名称: | MAGNESIUM ION, SODIUM ION, photoconvertible fluorescent protein | | 著者 | Shimizu, H, Tsutsui, H, Nukina, N, Miyawaki, A. | | 登録日 | 2006-01-27 | | 公開日 | 2006-03-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The E1 mechanism in photo-induced beta-elimination reactions for green-to-red conversion of fluorescent proteins
Chem.Biol., 16, 2009
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7SNO
 | | Structure of Bacple_01701(H214N), a 6-O-galactose porphyran sulfatase | | 分子名称: | 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, Arylsulfatase, ... | | 著者 | Ulaganathan, T, Cygler, M. | | 登録日 | 2021-10-28 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
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8EFG
 | | Crystal structure of human TATDN1 bound to dAMP and two zinc ions | | 分子名称: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ADENINE, ... | | 著者 | Dorival, J, Eichman, B.F. | | 登録日 | 2022-09-08 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Human and bacterial TatD enzymes exhibit apurinic/apyrimidinic (AP) endonuclease activity.
Nucleic Acids Res., 51, 2023
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7SNJ
 | | Structure of Bacple_01701, a 6-O-galactose porphyran sulfatase | | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Arylsulfatase, ... | | 著者 | Ulaganathan, T, Cygler, M. | | 登録日 | 2021-10-28 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | The porphyran degradation system of the human gut microbiota is complete, phylogenetically diverse and geographically structured across Asian populations
Biorxiv, 2023
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8F0F
 | | HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | 登録日 | 2022-11-02 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies.
Bioorg.Med.Chem.Lett., 83, 2023
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7SZU
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