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6AX3
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BU of 6ax3 by Molmil
Complex structure of JMJD5 and Symmetric Dimethyl-Arginine (SDMA)
Descriptor: 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, N3, ...
Authors:Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G.
Deposit date:2017-09-06
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7.
Sci Rep, 8, 2018
4Q5Y
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BU of 4q5y by Molmil
Crystal structure of extended-Tudor 10-11 of Drosophila melanogaster
Descriptor: Maternal protein tudor
Authors:Liu, H, Ren, R, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M.
Deposit date:2014-04-18
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
7U4L
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BU of 7u4l by Molmil
Crystal structure of human GPX4-U46C in complex with MAC-5576
Descriptor: Phospholipid hydroperoxide glutathione peroxidase, thiophene-2-carbaldehyde
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4K
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BU of 7u4k by Molmil
Crystal structure of human GPX4-U46C-R152H in complex with ML162
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
5YJH
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BU of 5yjh by Molmil
Structural insights into periostin functions
Descriptor: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Liu, H, Liu, J, Xu, F.
Deposit date:2017-10-10
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.957 Å)
Cite:Structural characterizations of human periostin dimerization and cysteinylation.
FEBS Lett., 592, 2018
7U4N
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BU of 7u4n by Molmil
Crystal structure of human GPX4-U46C in complex with RSL3
Descriptor: Phospholipid hydroperoxide glutathione peroxidase, methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4M
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BU of 7u4m by Molmil
Crystal structure of human GPX4-U46C in complex with LOC1886
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1H-indole-2-carbaldehyde, Phospholipid hydroperoxide glutathione peroxidase
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4J
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BU of 7u4j by Molmil
Crystal structure of human GPX4-U46C-R152H in complex with TMT10
Descriptor: Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4I
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BU of 7u4i by Molmil
Crystal structure of human GPX4-U46C-R152H in complex with CDS9
Descriptor: 2-bromo-N-[(thiophen-2-yl)methyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
5YJG
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BU of 5yjg by Molmil
Structural insights into periostin functions
Descriptor: CALCIUM ION, CHLORIDE ION, CYSTEINE, ...
Authors:Liu, H, Liu, J, Xu, F.
Deposit date:2017-10-10
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structural characterizations of human periostin dimerization and cysteinylation.
FEBS Lett., 592, 2018
5XGP
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BU of 5xgp by Molmil
structure of Sizzled from Xenopus laevis at 2.08 angstroms resolution
Descriptor: CHLORIDE ION, SULFATE ION, Secreted Xwnt8 inhibitor sizzled
Authors:Liu, H, Li, Z, Xu, F.
Deposit date:2017-04-15
Release date:2017-08-23
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.077 Å)
Cite:The crystal structure of full-length Sizzled from Xenopus laevis yields insights into Wnt-antagonistic function of secreted Frizzled-related proteins
J. Biol. Chem., 292, 2017
5Y4M
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BU of 5y4m by Molmil
Discoidin domain of human CASPR2
Descriptor: 1,2-ETHANEDIOL, human CASPR2 Disc domain
Authors:Liu, H, Xu, F, Zhang, J, Liang, W.
Deposit date:2017-08-04
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural mapping of hot spots within human CASPR2 discoidin domain for autoantibody recognition.
J. Autoimmun., 96, 2019
8JOV
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BU of 8jov by Molmil
Portal-tail complex of phage GP4
Descriptor: Portal protein, Putative tail fiber protein, Virion associated protein, ...
Authors:Liu, H, Chen, W.
Deposit date:2023-06-08
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Asymmetric Structure of Podophage GP4 Reveals a Novel Architecture of Three Types of Tail Fibers.
J.Mol.Biol., 435, 2023
8JOU
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BU of 8jou by Molmil
Fiber I and fiber-tail-adaptor of phage GP4
Descriptor: Virion-associated phage protein, rope protein of phage GP4
Authors:Liu, H, Chen, W.
Deposit date:2023-06-08
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Asymmetric Structure of Podophage GP4 Reveals a Novel Architecture of Three Types of Tail Fibers.
J.Mol.Biol., 435, 2023
6L2L
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BU of 6l2l by Molmil
The structure of the tRNA-specific deaminase from M. capricolum
Descriptor: Nucleoside deaminase family protein, ZINC ION
Authors:Xie, W, Liu, H, Wu, S.
Deposit date:2019-10-05
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.40045834 Å)
Cite:Structure of a tRNA-specific deaminase with compromised deamination activity.
Biochem.J., 477, 2020
6L2M
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BU of 6l2m by Molmil
The structure of the tRNA-specific deaminase mutant from M. capricolum
Descriptor: CHLORIDE ION, Nucleoside deaminase family protein, ZINC ION
Authors:Xie, W, Liu, H, Wu, S.
Deposit date:2019-10-05
Release date:2020-08-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.30254936 Å)
Cite:Structure of a tRNA-specific deaminase with compromised deamination activity.
Biochem.J., 477, 2020
8I4L
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BU of 8i4l by Molmil
Capsid structure of the Cyanophage P-SCSP1u
Descriptor: The capsid protein(gp 19) of P-SCSP1u
Authors:Liu, H, Dang, S.
Deposit date:2023-01-19
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses.
Nat Commun, 14, 2023
8I4M
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BU of 8i4m by Molmil
Portal-tail complex structure of the Cyanophage P-SCSP1u
Descriptor: Adaptor protein(gp22) of the cyanophage P-SCSP1u, Fiber protein(gp 28) of the cyanophage P-SCSP1u, Nozzle protein(gp 23) of the cyanophage P-SCSP1u, ...
Authors:Liu, H, Dang, S.
Deposit date:2023-01-19
Release date:2023-11-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses.
Nat Commun, 14, 2023
8JP2
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BU of 8jp2 by Molmil
Crystal structure of AKR1C1 in complex with DFV
Descriptor: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P.
Deposit date:2023-06-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
8JP1
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BU of 8jp1 by Molmil
Crystal structure of AKR1C3 in complex with DFV
Descriptor: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P.
Deposit date:2023-06-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
3DOY
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BU of 3doy by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP3
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BU of 3dp3 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
Descriptor: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
Authors:Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
Deposit date:2014-08-19
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
3MAZ
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BU of 3maz by Molmil
Crystal Structure of the Human BRDG1/STAP-1 SH2 Domain in Complex with the NTAL pTyr136 Peptide
Descriptor: CheD family protein, MALONATE ION, Signal-transducing adaptor protein 1
Authors:Kaneko, T, Huang, H, Zhao, B, Li, L, Liu, H, Voss, C.K, Wu, C, Schiller, M.R, Li, S.S.
Deposit date:2010-03-24
Release date:2010-05-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loops govern SH2 domain specificity by controlling access to binding pockets.
Sci.Signal., 3, 2010
4AVY
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BU of 4avy by Molmil
The AEROPATH project and Pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery.
Descriptor: PROBABLE SHORT-CHAIN DEHYDROGENASE
Authors:Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H.
Deposit date:2012-05-30
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013

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