8W8D
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7CHV
| Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid | Descriptor: | 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Yan, Y.-H, Li, G.-B. | Deposit date: | 2020-07-06 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.174 Å) | Cite: | AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases. Acta Pharm Sin B, 11, 2021
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6A71
| Crystal Structure of Human ATP7B and TM Complex | Descriptor: | ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chen, W.B. | Deposit date: | 2018-06-30 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein. Nat Commun, 10, 2019
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6AH3
| Cryo-EM structure of yeast Ribonuclease P with pre-tRNA substrate | Descriptor: | MAGNESIUM ION, RNases MRP/P 32.9 kDa subunit, Ribonuclease P RNA, ... | Authors: | Lan, P, Tan, M, Wu, J, Lei, M. | Deposit date: | 2018-08-16 | Release date: | 2018-10-17 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structural insight into precursor tRNA processing by yeast ribonuclease P. Science, 362, 2018
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6AGB
| Cryo-EM structure of yeast Ribonuclease P | Descriptor: | RNases MRP/P 32.9 kDa subunit, Ribonuclease P RNA, Ribonuclease P protein subunit RPR2, ... | Authors: | Lan, P, Tan, M, Wu, J, Lei, M. | Deposit date: | 2018-08-10 | Release date: | 2018-10-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structural insight into precursor tRNA processing by yeast ribonuclease P. Science, 362, 2018
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7DML
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8J2F
| Human neutral shpingomyelinase | Descriptor: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | Authors: | Zhang, S.S. | Deposit date: | 2023-04-14 | Release date: | 2023-12-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2). Nat Commun, 14, 2023
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7E9A
| Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S)) | Descriptor: | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ... | Authors: | Li, G.-B, Yan, Y.-H. | Deposit date: | 2021-03-03 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance. Chem.Commun.(Camb.), 57, 2021
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6AY2
| Structure of CathB with covalently linked Compound 28 | Descriptor: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | Authors: | Kiefer, J.R, Steinbacher, S. | Deposit date: | 2017-09-07 | Release date: | 2017-12-27 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity. J. Med. Chem., 61, 2018
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6A72
| Copper transporter protein | Descriptor: | ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum | Authors: | Chen, W.B. | Deposit date: | 2018-07-01 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein. Nat Commun, 10, 2019
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7F6W
| Crystal structure of Saccharomyces cerevisiae lysyl-tRNA Synthetase | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysine--tRNA ligase | Authors: | Wu, S, Li, P, Hei, Z, Zheng, L, Wang, J, Fang, P. | Deposit date: | 2021-06-26 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.607 Å) | Cite: | Human lysyl-tRNA synthetase evolves a dynamic structure that can be stabilized by forming complex. Cell.Mol.Life Sci., 79, 2022
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8FYA
| Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-containing prespacer complex | Descriptor: | Cas1, Cas2-DEDDh, DNA (28-MER), ... | Authors: | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | Deposit date: | 2023-01-25 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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8FYB
| Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex | Descriptor: | Cas1, Cas2-DEDDh, DNA (17-MER), ... | Authors: | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | Deposit date: | 2023-01-25 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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8FYC
| Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex linear CRISPR repeat conformation | Descriptor: | Cas1, Cas2-DEDDh, DEDDh, ... | Authors: | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | Deposit date: | 2023-01-25 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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8FY9
| Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-deficient prespacer complex | Descriptor: | Cas1, Cas2-DEDDh, DNA (28-MER) | Authors: | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | Deposit date: | 2023-01-25 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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8FYD
| Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex bent CRISPR repeat conformation | Descriptor: | Cas1, Cas2-DEDDh, DNA (13-MER), ... | Authors: | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | Deposit date: | 2023-01-25 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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6BOJ
| Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ... | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | Deposit date: | 2017-11-20 | Release date: | 2018-08-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice. Neuropsychopharmacology, 43, 2018
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7KPW
| Structure of the H-lobe of yeast CKM | Descriptor: | Mediator of RNA polymerase II transcription subunit 12 | Authors: | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | Deposit date: | 2020-11-12 | Release date: | 2021-01-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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1D2R
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7KW1
| Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7KVX
| Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7YP0
| Crystal structure of CtGST | Descriptor: | Glutathione S-transferase | Authors: | Yang, J, Fan, J.P, Lei, X.G. | Deposit date: | 2022-08-02 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7. Jacs Au, 4, 2024
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7YOC
| Crystal structure of Fhb7 | Descriptor: | Fhb7 | Authors: | Yang, J, Liang, K, Xiao, J.Y, Lei, X.G. | Deposit date: | 2022-08-01 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7. Jacs Au, 4, 2024
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7KVZ
| Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | Descriptor: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R.J. | Deposit date: | 2020-11-29 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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6KE4
| ABloop reengineered Ferritin Nanocage | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Wang, W.M, Wang, H.F. | Deposit date: | 2019-07-03 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions. Chem.Commun.(Camb.), 55, 2019
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