7FBD
 
 | | De novo design protein D53 with MBP tag | | Descriptor: | Maltodextrin-binding protein,De novo design protein D53 | | Authors: | Bin, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7FBB
 | | De novo design protein D12 with MBP tag | | Descriptor: | Maltodextrin-binding protein,de novo designed protein D12 | | Authors: | Bin, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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6W8D
 | | Structure of DNMT3A (R882H) in complex with CGT DNA | | Descriptor: | CGT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ... | | Authors: | Anteneh, H, Song, J. | | Deposit date: | 2020-03-20 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Structural basis for impairment of DNA methylation by the DNMT3A R882H mutation.
Nat Commun, 11, 2020
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7FBC
 | | De novo design protein D22 with MBP tag | | Descriptor: | Maltodextrin-binding protein,De novo design protein D22 | | Authors: | Bin, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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6BSH
 | | Structure of HIV-1 RT complexed with RNA/DNA hybrid in the RNA hydrolysis mode | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*AP*TP*GP*CP*CP*AP*CP*TP*AP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ... | | Authors: | Tian, L, Kim, M, Yang, W. | | Deposit date: | 2017-12-03 | | Release date: | 2018-01-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7VZR
 | | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form) | | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | | Authors: | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | | Deposit date: | 2021-11-16 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.22 Å) | | Cite: | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Nat Commun, 13, 2022
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6PSO
 | | Crystal structure of PsS1_19B C77S in complex with iota-neocarratetraose | | Descriptor: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hettle, A.G, Boraston, A.B. | | Deposit date: | 2019-07-13 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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6PT6
 | | Crystal structure of PsS1_NC C84S in complex with i-neocarratetraose | | Descriptor: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, exo-2S-iota carrageenan S1 sulfatase | | Authors: | Hettle, A.G, Boraston, A.B. | | Deposit date: | 2019-07-15 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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7VZG
 | | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form) | | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | | Authors: | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | | Deposit date: | 2021-11-16 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
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3WMC
 | | Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase | | Authors: | Chen, L, Zhou, Y, Chen, L, Yang, Q. | | Deposit date: | 2013-11-16 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
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4YQH
 | | 2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A | | Descriptor: | 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Burdi, D, Herman, L, Wang, T. | | Deposit date: | 2015-03-13 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.308 Å) | | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
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4YS7
 | | Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A | | Descriptor: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Burdi, D.F, Herman, L, Wang, T. | | Deposit date: | 2015-03-16 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
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8UVX
 | | CosR DNA bound form I | | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*TP*TP*TP*GP*GP*TP*TP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*T)-3'), DNA-binding response regulator | | Authors: | Zhang, Z. | | Deposit date: | 2023-11-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
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3EE1
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5XJZ
 | | Structure of DNA1-Ag complex | | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE | | Authors: | Liu, H.H, Gan, J.H. | | Deposit date: | 2017-05-04 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
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3SWJ
 | | Crystal structure of Campylobacter jejuni ChuZ | | Descriptor: | AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein | | Authors: | Hu, Y. | | Deposit date: | 2011-07-14 | | Release date: | 2011-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.409 Å) | | Cite: | Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
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5XNE
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8ECG
 | | Complex of HMG1 with pitavastatin | | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin | | Authors: | Haywood, J, Bond, C.S. | | Deposit date: | 2022-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
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4P6A
 | | Crystal structure of a potent anti-HIV lectin actinohivin in complex with alpha-1,2-mannotriose | | Descriptor: | Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Zhang, F, Hoque, M.M, Suzuki, K, Tsunoda, M, Naomi, O, Tanaka, H, Takenaka, A. | | Deposit date: | 2014-03-23 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | The characteristic structure of anti-HIV actinohivin in complex with three HMTG D1 chains of HIV-gp120.
Chembiochem, 15, 2014
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7CSX
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3C4E
 | | Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole | | Descriptor: | IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Zhang, K.Y.J, Wang, W. | | Deposit date: | 2008-01-29 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5NFS
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4M37
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5WUS
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6C0F
 | | Yeast nucleolar pre-60S ribosomal subunit (state 2) | | Descriptor: | 5.8S rRNA, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ... | | Authors: | Sanghai, Z.A, Miller, L, Barandun, J, Hunziker, M, Chaker-Margot, M, Klinge, S. | | Deposit date: | 2017-12-29 | | Release date: | 2018-03-14 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Modular assembly of the nucleolar pre-60S ribosomal subunit.
Nature, 556, 2018
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