8CZQ
 
 | | The crystal structure of MtbTOP1 in complex with both G- and T-segments | | Descriptor: | ACETATE ION, DNA (5'-D(*CP*TP*TP*CP*CP*GP*CP*TP*TP*GP*AP*C)-3'), DNA topoisomerase 1, ... | | Authors: | Tan, K, Tse-Dinh, Y.-C. | | Deposit date: | 2022-05-25 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | The interaction between transport-segment DNA and topoisomerase IA-crystal structure of MtbTOP1 in complex with both G- and T-segments.
Nucleic Acids Res., 51, 2023
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8W5Z
 | | Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of tick anticoagulant protein madanin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ADENOSINE-3'-5'-DIPHOSPHATE, ... | | Authors: | Yoshimura, M, Teramoto, T, Nishimoto, E, Kakuta, Y. | | Deposit date: | 2023-08-28 | | Release date: | 2024-04-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of the tick anticoagulant protein madanin.
J.Biol.Chem., 300, 2024
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4PZW
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | Descriptor: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | Authors: | Vigers, G.P.A. | | Deposit date: | 2014-03-31 | | Release date: | 2014-05-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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9J11
 | | Structure of mEos3.2 in the green fluorescent state | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Green to red photoconvertible GFP-like protein EosFP | | Authors: | Zheng, S.P, Shi, X.R. | | Deposit date: | 2024-08-03 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for the fast maturation of pcStar, a photoconvertible fluorescent protein.
Acta Crystallogr D Struct Biol, 81, 2025
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8ZE9
 | | ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus S154A mutant in complex with diethylhexyl phthalate at 2.4A | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Triacylglycerol lipase, ... | | Authors: | Verma, S, Choudhary, S, Kumar, P. | | Deposit date: | 2024-05-04 | | Release date: | 2024-12-25 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme.
Structure, 33, 2025
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6XRX
 | | Crystal structure of the mosquito protein AZ1 as an MBP fusion | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein, ... | | Authors: | Pedersen, L.C, Mueller, G.A, Foo, A.C.Y. | | Deposit date: | 2020-07-14 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The mosquito protein AEG12 displays both cytolytic and antiviral properties via a common lipid transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5B4D
 | | Crystal structure of H10N mutant of LpxH | | Descriptor: | GLYCEROL, UDP-2,3-diacylglucosamine hydrolase | | Authors: | Okada, C, Wakabayashi, H, Yao, M, Tanaka, I. | | Deposit date: | 2016-04-03 | | Release date: | 2016-09-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of the UDP-diacylglucosamine pyrophosphohydrase LpxH from Pseudomonas aeruginosa
Sci Rep, 6, 2016
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9JK1
 | | Crystal structure of CDK12/Cyclin K in complex with covalent inhibitor YJZ5118 | | Descriptor: | 1,2-ETHANEDIOL, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Huang, W.X, Zhang, P.J, Yang, J.Z, Ding, K. | | Deposit date: | 2024-09-14 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery of YJZ5118 : A Potent and Highly Selective Irreversible CDK12/13 Inhibitor with Synergistic Effects in Combination with Akt Inhibition.
J.Med.Chem., 68, 2025
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4XIL
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6G2N
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7TNI
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4Q2P
 | | NHERF3 PDZ2 in Complex with a Phage-Derived Peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3 | | Authors: | Appleton, B.A, Wiesmann, C. | | Deposit date: | 2014-04-09 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014
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5IQ6
 | | Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor | | Descriptor: | N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION | | Authors: | Tarantino, D, Mastrangelo, E, Milani, M. | | Deposit date: | 2016-03-10 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor.
Antiviral Res., 134, 2016
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5GM3
 | | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 | | Descriptor: | CACODYLATE ION, Endoglucanase-1, ZINC ION | | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-07-12 | | Release date: | 2017-05-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
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4XMA
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6G07
 | | RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A | | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide | | Authors: | Kallen, J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
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7L1S
 | | PS3 F1-ATPase Pi-bound Dwell | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ATP synthase subunit alpha, ... | | Authors: | Sobti, M, Ueno, H, Noji, H, Stewart, A.G. | | Deposit date: | 2020-12-15 | | Release date: | 2021-07-21 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The six steps of the complete F 1 -ATPase rotary catalytic cycle.
Nat Commun, 12, 2021
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7L1Q
 | | PS3 F1-ATPase Binding/TS Dwell | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | | Authors: | Sobti, M, Ueno, H, Noji, H, Stewart, A.G. | | Deposit date: | 2020-12-15 | | Release date: | 2021-07-21 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The six steps of the complete F 1 -ATPase rotary catalytic cycle.
Nat Commun, 12, 2021
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7KRI
 | | FR6-bound SARS-CoV-2 Nsp9 RNA-replicase | | Descriptor: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, MALONATE ION, Non-structural protein 9, ... | | Authors: | Littler, D.R, Gully, B.S, Rossjohn, J. | | Deposit date: | 2020-11-20 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Binding of a pyrimidine RNA base-mimic to SARS-CoV-2 nonstructural protein 9.
J.Biol.Chem., 297, 2021
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7L1R
 | | PS3 F1-ATPase Hydrolysis Dwell | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | | Authors: | Sobti, M, Ueno, H, Noji, H, Stewart, A.G. | | Deposit date: | 2020-12-15 | | Release date: | 2021-07-21 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The six steps of the complete F 1 -ATPase rotary catalytic cycle.
Nat Commun, 12, 2021
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5XXL
 | | Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | | Deposit date: | 2017-07-04 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
FEBS Lett., 591, 2017
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5BSX
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5LRI
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5G22
 | | Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26) | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ... | | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | Deposit date: | 2016-04-06 | | Release date: | 2017-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
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5GIS
 | | Crystal structure of a Fab fragment with its ligand peptide | | Descriptor: | Heavy chain of Fab fragment, Light chain of Fab fragment, SULFATE ION, ... | | Authors: | Kitago, Y, Kaneko, K.K, Ogasawara, S, Kato, Y, Takagi, J. | | Deposit date: | 2016-06-24 | | Release date: | 2016-09-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis for multi-specific peptide recognition by the anti-IDH1/2 monoclonal antibody, MsMab-1.
Biochem. Biophys. Res. Commun., 478, 2016
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