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6KBC
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CRYSTAL STRUCTURE OF CGHA WITH SCH210972
Descriptor:CghA, (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
Authors:Hara, K., Hashimoto, H., Maeda, N., Sato, M., Watanabe, K.
Deposit date:2019-06-24
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of CghA with Sch210972
To Be Published
6KBD
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FUSED TO-MTBCSM1 WITH 2DATP
Descriptor:CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Li, T., Huo, Y., Jiang, T.
Deposit date:2019-06-24
Release date:2020-06-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:fused To-MtbCsm1 with 2dATP
To Be Published
6KBE
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STRUCTURE OF DEUBIQUITINASE
Descriptor:Ubiquitin thioesterase, Polyubiquitin-C
Authors:Lu, L.N., Liu, L., Wang, F.
Deposit date:2019-06-24
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.339 Å)
Cite:Structure of Rice OTUB_like in complex with M1-diUb at 2.339 Angstroms
To Be Published
6KCV
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STRUCTURE OF ALGINATE LYASE ALY36B MUTANT K143A/Y185A IN COMPLEX WITH ALGINATE TETRASACCHARIDE
Descriptor:Alginate lyase, beta-D-mannuronic acid, CALCIUM ION
Authors:Dong, F., Zhang, Y.Z., Chen, X.L.
Deposit date:2019-06-29
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Structure of alginate lyase Aly36B mutant K143A/Y185A in complex with alginate tetrasaccharide
To Be Published
6KCW
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STRUCTURE OF ALGINATE LYASE ALY36B
Descriptor:Alginate lyase, PHOSPHATE ION, CALCIUM ION
Authors:Dong, F., Chen, X.L., Zhang, Y.Z.
Deposit date:2019-06-29
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure of alginate lyase Aly36B
To Be Published
6KD0
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CRYSTAL STRUCTURE OF VIBRALACTONE CYCLASE
Descriptor:Vibralactone Cyclase
Authors:Zeng, Y., Feng, K.N.
Deposit date:2019-06-30
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Hydrolase-Catalyzed Cyclization Forms the Fused Bicyclic beta-Lactone in Vibralactone.
Angew.Chem.Int.Ed.Engl., 59, 2020
6KD5
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CRYSTAL STRUCTURE OF EXTRACELLULAR DOMAIN OF MSPL IN COMPLEX WITH FURIN INHIBITOR
Descriptor:Transmembrane protease serine 13, Transmembrane protease serine 13 (Peptidase S1 domain), DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Ohno, A., Maita, N., Okumura, Y., Nikawa, T.
Deposit date:2019-06-30
Release date:2020-06-24
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cystal structure of inhibitor-bound human MSPL/TMPRSS13 that can activate high pathogenic avian influenza
Biorxiv, 2020
6KP1
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CRYSTAL STRUCTURE OF TWO DOMAIN M1 ZINC METALLOPEPTIDASE E323A MUTANT BOUND TO L-METHIONINE AMINO ACID
Descriptor:Zinc metalloprotease, putative, ZINC ION, ...
Authors:Agrawal, R., Kumar, A., Kumar, A., Makde, R.D.
Deposit date:2019-08-13
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase
To Be Published
6KSU
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CRYSTAL STRUCTURE OF SURE
Descriptor:Alpha/beta hydrolase, SULFATE ION, MALONATE ION, ...
Authors:Zhai, R., Mori, T., Abe, I.
Deposit date:2019-08-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
6KSV
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CRYSTAL STRUCTURE OF SURE WITH D-LEU
Descriptor:Alpha/beta hydrolase, D-LEUCINE, SULFATE ION, ...
Authors:Zhai, R., Mori, T., Abe, I.
Deposit date:2019-08-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Heterochiral coupling in non-ribosomal peptide macrolactamization
Nat Catal, 2020
6LGP
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CRYO-EM STRUCTURE OF TRPV3 IN LIPID NANODISC
Descriptor:Transient receptor potential cation channel subfamily V member 3, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, DIUNDECYL PHOSPHATIDYL CHOLINE
Authors:Shimada, H., Kusakizako, T., Nishizawa, T., Nureki, O.
Deposit date:2019-12-05
Release date:2020-06-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of lipid nanodisc-reconstituted TRPV3 reveals the gating mechanism.
Nat.Struct.Mol.Biol., 2020
6LHX
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CRYSTAL STRUCTURE OF THSA
Descriptor:ThsA
Authors:Bae, E., Ka, D., Oh, H.
Deposit date:2019-12-10
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural and functional evidence of bacterial antiphage protection by Thoeris defense system via NAD+degradation.
Nat Commun, 11, 2020
6LHY
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CRYSTAL STRUCTURE OF THSB
Descriptor:DUF1863 domain-containing protein
Authors:Bae, E., Ka, D., Oh, H.
Deposit date:2019-12-10
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structural and functional evidence of bacterial antiphage protection by Thoeris defense system via NAD+degradation.
Nat Commun, 11, 2020
6LON
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CRYSTAL STRUCTURE OF HPSG
Descriptor:PFL2/glycerol dehydratase family glycyl radical enzyme, (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, ...
Authors:Liu, J., Zhang, Y., Yuchi, Z.
Deposit date:2020-01-06
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate
Proc.Natl.Acad.Sci.USA, 2020
6LRC
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HUMAN CGAS CATALYTIC DOMAIN BOUND WITH THE INHIBITOR PF-06928215
Descriptor:Cyclic GMP-AMP synthase, (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, ZINC ION
Authors:Zhao, W.F., Xu, Y.C.
Deposit date:2020-01-15
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 2020
6LRE
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HUMAN CGAS CATALYTIC DOMAIN BOUND WITH COMPOUND 3
Descriptor:Cyclic GMP-AMP synthase, ZINC ION, 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid
Authors:Zhao, W.F., Xiong, M.Y., Yuan, X.J., Sun, H.B., Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 2020
6LRI
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HUMAN CGAS CATALYTIC DOMAIN BOUND WITH COMPOUND 17
Descriptor:Cyclic GMP-AMP synthase, 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, ZINC ION
Authors:Zhao, W.F., Xiong, M.Y., Yuan, X.J., Sun, H.B., Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 2020
6LRJ
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HUMAN CGAS CATALYTIC DOMAIN BOUND WITH COMPOUND 23
Descriptor:Cyclic GMP-AMP synthase, 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, ZINC ION
Authors:Zhao, W.F., Xiong, M.Y., Yuan, X.J., Sun, H.B., Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 2020
6LRK
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HUMAN CGAS CATALYTIC DOMAIN BOUND WITH COMPOUND 40
Descriptor:Cyclic GMP-AMP synthase, (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, ZINC ION
Authors:Zhao, W.F., Xiong, M.Y., Yuan, X.J., Sun, H.B., Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 2020
6LRL
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HUMAN CGAS CATALYTIC DOMAIN BOUND WITH COMPOUND S2
Descriptor:Cyclic GMP-AMP synthase, ZINC ION, 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid
Authors:Zhao, W.F., Xiong, M.Y., Yuan, X.J., Sun, H.B., Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 2020
6LYJ
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THE CRYSTAL STRUCTURE OF SAUGI/EBVUDG COMPLEX
Descriptor:Uracil-DNA glycosylase, SAUGI
Authors:Liao, Y.T., Ko, T.P., Wang, H.C.
Deposit date:2020-02-14
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into the differential interactions between the DNA mimic protein SAUGI and two gamma herpesvirus uracil-DNA glycosylases.
Int.J.Biol.Macromol., 160, 2020
6LYV
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THE CRYSTAL STRUCTURE OF SAUGI/KSHVUDG COMPLEX
Descriptor:Uracil-DNA glycosylase, SAUGI
Authors:Liao, Y.T., Ko, T.P., Wang, H.C.
Deposit date:2020-02-16
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into the differential interactions between the DNA mimic protein SAUGI and two gamma herpesvirus uracil-DNA glycosylases.
Int.J.Biol.Macromol., 160, 2020
6LZH
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CRYSTAL STRUCTURE OF ALPHA/BETA HYDROLASE GRGF FROM PENICILLIUM SP. SH18
Descriptor:GrgF, SODIUM ION
Authors:Wang, H., Yu, J., Wang, W.G., Matsuda, Y., Yao, M.
Deposit date:2020-02-19
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
6M5B
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X-RAY CRYSTAL STRUCTURE OF CYCLIC-PIP AND DNA COMPLEX IN A REVERSE BINDING ORIENTATION
Descriptor:DNA (5'-D(*CP*(CBR)P*AP*GP*GP*CP*CP*TP*GP*G)-3'), 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{N}-[2-[[(3~{S})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide, MAGNESIUM ION, ...
Authors:Abe, K., Hirose, Y., Eki, H., Takeda, K., Bando, T., Endo, M., Sugiyama, H.
Deposit date:2020-03-10
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:X-ray Crystal Structure of a Cyclic-PIP-DNA Complex in the Reverse-Binding Orientation.
J.Am.Chem.Soc., 142, 2020
6M6Z
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A DE NOVO DESIGNED TRANSMEMBRANE NANOPORE, TMH4C4
Descriptor:TMH4C4
Authors:Lu, P., Xu, C., Reggiano, G., Xu, Q., DiMaio, F., Baker, D.
Deposit date:2020-03-16
Release date:2020-06-24
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Computational Design of Transmembrane Pores
Nature, 2020