8H5U
 
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ... | | 著者 | Yang, J, Lin, S, Lu, G.W. | | 登録日 | 2022-10-13 | | 公開日 | 2023-10-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
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6C7S
 | | Structure of Rifampicin Monooxygenase with Product Bound | | 分子名称: | (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Liu, L.-K, Tanner, J.J. | | 登録日 | 2018-01-23 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Evidence for Rifampicin Monooxygenase Inactivating Rifampicin by Cleaving Its Ansa-Bridge.
Biochemistry, 57, 2018
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7V97
 | | Arsenic-bound p53 DNA-binding domain mutant V272M | | 分子名称: | ARSENIC, Cellular tumor antigen p53, ZINC ION | | 著者 | Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X. | | 登録日 | 2021-08-24 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
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5CPR
 | | The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity | | 分子名称: | 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ... | | 著者 | Jakob, C.G, Upadhyay, A.K, Sun, C. | | 登録日 | 2015-07-21 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
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8H41
 | | Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol | | 分子名称: | MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase | | 著者 | Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X. | | 登録日 | 2022-10-09 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Catalysts, 12, 2022
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7XC5
 | | Crystal structure of the ANK domain of CLPB | | 分子名称: | Isoform 2 of Caseinolytic peptidase B protein homolog | | 著者 | Liu, Y, Wu, D, Lu, G, Gao, N, Lin, J. | | 登録日 | 2022-03-23 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
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7V3S
 | | Crystal structure of CMET in complex with a novel inhibitor | | 分子名称: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 著者 | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
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7V3R
 | | Crystal structure of CMET in complex with a novel inhibitor | | 分子名称: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 著者 | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
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6IUO
 | | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | | 分子名称: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | | 著者 | Xu, Y, Liu, Q. | | 登録日 | 2018-11-29 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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6ITJ
 | | Crystal structure of FGFR1 kinase domain in complex with compound 3 | | 分子名称: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | | 著者 | Xu, Y, Liu, Q. | | 登録日 | 2018-11-23 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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6IUP
 | | Crystal structure of FGFR4 kinase domain in complex with compound 5 | | 分子名称: | DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide | | 著者 | Xu, Y, Liu, Q. | | 登録日 | 2018-11-29 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
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7YLA
 | | Cryo-EM structure of 50S-HflX complex | | 分子名称: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | 著者 | Damu, W, Ning, G. | | 登録日 | 2022-07-25 | | 公開日 | 2023-01-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | | 主引用文献 | Cryo-EM Structure of the 50S-HflX Complex Reveals a Novel Mechanism of Antibiotic Resistance in E. coli
Biorxiv, 2022
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7ZG8
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7VS2
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7W1S
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007 | | 分子名称: | Nanobody Nb-007, Spike protein S1 | | 著者 | Yang, J, Lin, S, Sun, H.L, Lu, G.W. | | 登録日 | 2021-11-20 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
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8I8F
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | | 著者 | Shi, X, Liu, W. | | 登録日 | 2023-02-04 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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8G92
 | | Structure of inhibitor 16d-bound SPNS2 | | 分子名称: | 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, Sphingosine-1-phosphate transporter SPNS2 | | 著者 | Chen, H, Li, X. | | 登録日 | 2023-02-21 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
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7DTL
 | | Crystal structure of PSK, an antimicrobial peptide from Chrysomya megacephala | | 分子名称: | PSK | | 著者 | Xiao, C, Xiao, Z, Wang, S, Liu, W. | | 登録日 | 2021-01-05 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal and solution structures of a novel antimicrobial peptide from Chrysomya megacephala.
Acta Crystallogr D Struct Biol, 77, 2021
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7EFP
 | | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Lu, G.W, Ye, F, Lin, X. | | 登録日 | 2021-03-22 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | | 主引用文献 | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
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7EFR
 | | Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Lu, G.W, Ye, F, Lin, X. | | 登録日 | 2021-03-23 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | | 主引用文献 | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
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2HJI
 | | Structural model for the Fe-containing isoform of acireductone dioxygenase | | 分子名称: | E-2/E-2' protein, FE (II) ION | | 著者 | Pochapsky, T.C, Ju, T, Maroney, M.J, Chai, S.C. | | 登録日 | 2006-06-30 | | 公開日 | 2006-10-24 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | One Protein, Two Enzymes Revisited: A Structural Entropy Switch Interconverts the Two Isoforms of Acireductone Dioxygenase
J.Mol.Biol., 363, 2006
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6JQW
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6JQX
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1ZRR
 | | Residual Dipolar Coupling Refinement of Acireductone Dioxygenase from Klebsiella | | 分子名称: | E-2/E-2' protein, NICKEL (II) ION | | 著者 | Pochapsky, T.C, Pochapsky, S.S, Ju, T, Hoefler, C, Liang, J. | | 登録日 | 2005-05-19 | | 公開日 | 2005-12-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A refined model for the structure of acireductone dioxygenase from Klebsiella ATCC 8724 incorporating residual dipolar couplings
J.Biomol.NMR, 34, 2006
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