7XS2
| Monomer structure of HtrA from Helicobacter pylori | Descriptor: | Periplasmic serine endoprotease DegP-like | Authors: | Cui, L, Liu, W. | Deposit date: | 2022-05-12 | Release date: | 2023-05-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements. Int.J.Biol.Macromol., 243, 2023
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5Z0S
| Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor | Descriptor: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1 | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-12-20 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors Molecules, 23, 2018
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6IUP
| Crystal structure of FGFR4 kinase domain in complex with compound 5 | Descriptor: | 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 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | 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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6IUO
| Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | Descriptor: | 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 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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6C7S
| Structure of Rifampicin Monooxygenase with Product Bound | Descriptor: | (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, ... | Authors: | Liu, L.-K, Tanner, J.J. | Deposit date: | 2018-01-23 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Evidence for Rifampicin Monooxygenase Inactivating Rifampicin by Cleaving Its Ansa-Bridge. Biochemistry, 57, 2018
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7YLA
| Cryo-EM structure of 50S-HflX complex | Descriptor: | 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Damu, W, Ning, G. | Deposit date: | 2022-07-25 | Release date: | 2023-01-04 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | 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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1ZRR
| Residual Dipolar Coupling Refinement of Acireductone Dioxygenase from Klebsiella | Descriptor: | E-2/E-2' protein, NICKEL (II) ION | Authors: | Pochapsky, T.C, Pochapsky, S.S, Ju, T, Hoefler, C, Liang, J. | Deposit date: | 2005-05-19 | Release date: | 2005-12-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 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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2HJI
| Structural model for the Fe-containing isoform of acireductone dioxygenase | Descriptor: | E-2/E-2' protein, FE (II) ION | Authors: | Pochapsky, T.C, Ju, T, Maroney, M.J, Chai, S.C. | Deposit date: | 2006-06-30 | Release date: | 2006-10-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 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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6JQX
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6JQW
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7V97
| Arsenic-bound p53 DNA-binding domain mutant V272M | Descriptor: | ARSENIC, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X. | Deposit date: | 2021-08-24 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties. Sci Transl Med, 15, 2023
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8GYB
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8GYA
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8GY4
| Crystal structure of Alongshan virus methyltransferase | Descriptor: | Methyltransferase | Authors: | Chen, H, Lin, S, Lu, G.W. | Deposit date: | 2022-09-21 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses. Plos Pathog., 19, 2023
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8GY9
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8HR2
| Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6 | Descriptor: | NB1B5, NB1C6, Spike protein S1 | Authors: | Sun, Z. | Deposit date: | 2022-12-14 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes. J.Struct.Biol., 215, 2023
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8H5U
| Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021 | Descriptor: | 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, ... | Authors: | Yang, J, Lin, S, Lu, G.W. | Deposit date: | 2022-10-13 | Release date: | 2023-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | 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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8H5T
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7V3R
| Crystal structure of CMET in complex with a novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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7V3S
| Crystal structure of CMET in complex with a novel inhibitor | Descriptor: | 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 | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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7XC5
| Crystal structure of the ANK domain of CLPB | Descriptor: | Isoform 2 of Caseinolytic peptidase B protein homolog | Authors: | Liu, Y, Wu, D, Lu, G, Gao, N, Lin, J. | Deposit date: | 2022-03-23 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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8H41
| Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol | Descriptor: | MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase | Authors: | Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X. | Deposit date: | 2022-10-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase Catalysts, 12, 2022
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7VS2
| secreted fungal effector protein MoErs1 | Descriptor: | MoErs1 | Authors: | Wang, F.F, Xing, W.M. | Deposit date: | 2021-10-25 | Release date: | 2023-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast. Nat.Plants, 2024
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