5CTY
 
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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7MSZ
 | | Mtb 70SIC in complex with MtbEttA at Trans_R1 state | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Cui, Z, Zhang, J. | | Deposit date: | 2021-05-12 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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7MSH
 | | Mtb 70SIC in complex with MtbEttA at Pre_R1 state | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Cui, Z, Zhang, J. | | Deposit date: | 2021-05-11 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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7MSC
 | | Mtb 70SIC in complex with MtbEttA at Pre_R0 state | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Cui, Z, Zhang, J. | | Deposit date: | 2021-05-11 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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7MT7
 | | Mtb 70S with P and E site tRNAs | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Cui, Z, Zhang, J. | | Deposit date: | 2021-05-13 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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7MT3
 | | Mtb 70S with P/E tRNA | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Cui, Z, Zhang, J. | | Deposit date: | 2021-05-12 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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6VXN
 | | Cryo-EM structure of Arabidopsis thaliana MSL1 A320V | | Descriptor: | DODECANE, Mechanosensitive ion channel protein 1, mitochondrial | | Authors: | Deng, Z, Zhang, J, Yuan, P. | | Deposit date: | 2020-02-22 | | Release date: | 2020-08-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural mechanism for gating of a eukaryotic mechanosensitive channel of small conductance.
Nat Commun, 11, 2020
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3K3O
 | | Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8 | | Authors: | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | | Deposit date: | 2009-10-03 | | Release date: | 2010-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010
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6BZ9
 | | Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK | | Descriptor: | Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER | | Authors: | Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6WAZ
 | | +1 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | | Descriptor: | HIV-1 viral RNA genome fragment, Reverse transcriptase p51 subunit, Reverse transcriptase/ribonuclease H, ... | | Authors: | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | | Deposit date: | 2020-03-26 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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7Y5Q
 | | Structure of 1:1 PAPP-A.STC2 complex(half map) | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | | Deposit date: | 2022-06-17 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
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6YQ0
 | | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | | Descriptor: | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ... | | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | | Deposit date: | 2020-04-16 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
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5HBY
 | | RNA primer-template complex with 2-methylimidazole-activated monomer analogue-3 binding sites | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*C)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | | Authors: | Zhang, W, Tam, C.P, Wang, J, Szostak, J.W. | | Deposit date: | 2016-01-03 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
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7Y62
 | | Crystal structure of human TFEB HLHLZ domain | | Descriptor: | Transcription factor EB | | Authors: | Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J. | | Deposit date: | 2022-06-18 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6VXP
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7AAA
 | | Crystal structure of the catalytic domain of human PARP1 (apo) | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Underwood, E, Rawlins, P.B, Johannes, J.W, Easton, L.E, Embrey, K.J, Neuhaus, D. | | Deposit date: | 2020-09-04 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
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3TI5
 | | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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7DSZ
 | | Crystal structure of Amuc_1102 from Akkermansia muciniphila | | Descriptor: | Amuc_1102, CHLORIDE ION | | Authors: | Xiang, R, Wang, J, Wang, Y, Zhang, M, Wang, M. | | Deposit date: | 2021-01-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Amuc_1102 fromAkkermansia muciniphilaadopts animmunoglobulin-like fold related to archaeal type IV pilus
Biochem.Biophys.Res.Commun., 547, 2021
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5CTU
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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3MQB
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4RVB
 | | Crystal Structure Analysis of the Human Leukotriene A4 Hydrolase | | Descriptor: | ACETATE ION, ACETIC ACID, GLYCEROL, ... | | Authors: | Ouyang, P, Lu, W, Cui, K, Huang, J. | | Deposit date: | 2014-11-25 | | Release date: | 2015-12-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure Analysis of the Human Leukotriene A4 Hydrolase
To be Published
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6WB0
 | | +3 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | | Descriptor: | HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ... | | Authors: | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | | Deposit date: | 2020-03-26 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
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7LAD
 | | Clobetasol propionate bound to CYP3A5 | | Descriptor: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | | Deposit date: | 2021-01-06 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
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6J10
 | | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly | | Descriptor: | 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein | | Authors: | Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J. | | Deposit date: | 2018-12-27 | | Release date: | 2019-04-17 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly.
Nat Commun, 10, 2019
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8OVX
 | | Cryo-EM structure of yeast CENP-OPQU+ bound to the CENP-A N-terminus | | Descriptor: | Inner kinetochore subunit AME1, Inner kinetochore subunit CTF19, Inner kinetochore subunit MCM21, ... | | Authors: | Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S. | | Deposit date: | 2023-04-26 | | Release date: | 2023-08-09 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere.
Sci Adv, 9, 2023
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