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7FBD
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BU of 7fbd by Molmil
De novo design protein D53 with MBP tag
分子名称: Maltodextrin-binding protein,De novo design protein D53
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBB
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BU of 7fbb by Molmil
De novo design protein D12 with MBP tag
分子名称: Maltodextrin-binding protein,de novo designed protein D12
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
6W8D
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BU of 6w8d by Molmil
Structure of DNMT3A (R882H) in complex with CGT DNA
分子名称: CGT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
著者Anteneh, H, Song, J.
登録日2020-03-20
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Structural basis for impairment of DNA methylation by the DNMT3A R882H mutation.
Nat Commun, 11, 2020
7FBC
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BU of 7fbc by Molmil
De novo design protein D22 with MBP tag
分子名称: Maltodextrin-binding protein,De novo design protein D22
著者Bin, H.
登録日2021-07-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
6BSH
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BU of 6bsh by Molmil
Structure of HIV-1 RT complexed with RNA/DNA hybrid in the RNA hydrolysis mode
分子名称: (-)-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'), ...
著者Tian, L, Kim, M, Yang, W.
登録日2017-12-03
公開日2018-01-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7VZR
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BU of 7vzr by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form)
分子名称: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
著者Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
登録日2021-11-16
公開日2022-12-28
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.22 Å)
主引用文献Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Nat Commun, 13, 2022
6PSO
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BU of 6pso by Molmil
Crystal structure of PsS1_19B C77S in complex with iota-neocarratetraose
分子名称: 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, ...
著者Hettle, A.G, Boraston, A.B.
登録日2019-07-13
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
6PT6
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BU of 6pt6 by Molmil
Crystal structure of PsS1_NC C84S in complex with i-neocarratetraose
分子名称: 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
著者Hettle, A.G, Boraston, A.B.
登録日2019-07-15
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
7VZG
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BU of 7vzg by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form)
分子名称: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
著者Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
登録日2021-11-16
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
3WMC
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BU of 3wmc by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2
分子名称: 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
著者Chen, L, Zhou, Y, Chen, L, Yang, Q.
登録日2013-11-16
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
4YQH
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BU of 4yqh by Molmil
2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A
分子名称: 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ...
著者Burdi, D, Herman, L, Wang, T.
登録日2015-03-13
公開日2015-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.308 Å)
主引用文献Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
4YS7
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BU of 4ys7 by Molmil
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
分子名称: 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, ...
著者Burdi, D.F, Herman, L, Wang, T.
登録日2015-03-16
公開日2015-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
8UVX
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BU of 8uvx by Molmil
CosR DNA bound form I
分子名称: 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
著者Zhang, Z.
登録日2023-11-05
公開日2024-01-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
3EE1
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BU of 3ee1 by Molmil
Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
分子名称: Effector protein virA
著者Davis, J.S.
登録日2008-09-03
公開日2008-12-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
Protein Sci., 17, 2008
5XJZ
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BU of 5xjz by Molmil
Structure of DNA1-Ag complex
分子名称: DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
5XNE
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BU of 5xne by Molmil
X-ray Crystal Structure of alpha-acetolactate decarboxylase from Bacillus subtilis strain 168
分子名称: Alpha-acetolactate decarboxylase, ZINC ION
著者Ji, F, Li, M, Feng, Y.
登録日2017-05-22
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural and enzymatic characterization of acetolactate decarboxylase from Bacillus subtilis
Appl. Microbiol. Biotechnol., 102, 2018
3SWJ
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BU of 3swj by Molmil
Crystal structure of Campylobacter jejuni ChuZ
分子名称: AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Putative uncharacterized protein
著者Hu, Y.
登録日2011-07-14
公開日2011-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
8ECG
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BU of 8ecg by Molmil
Complex of HMG1 with pitavastatin
分子名称: 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin
著者Haywood, J, Bond, C.S.
登録日2022-09-01
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
4P6A
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BU of 4p6a by Molmil
Crystal structure of a potent anti-HIV lectin actinohivin in complex with alpha-1,2-mannotriose
分子名称: Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Zhang, F, Hoque, M.M, Suzuki, K, Tsunoda, M, Naomi, O, Tanaka, H, Takenaka, A.
登録日2014-03-23
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献The characteristic structure of anti-HIV actinohivin in complex with three HMTG D1 chains of HIV-gp120.
Chembiochem, 15, 2014
7CSX
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BU of 7csx by Molmil
Crystal structure of the N-terminal tandem RRM domains of RBM45
分子名称: RNA-binding protein 45
著者Chen, X, Yang, Z, Wang, W, Wang, M.
登録日2020-08-17
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45.
Nucleic Acids Res., 49, 2021
3C4E
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BU of 3c4e by Molmil
Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole
分子名称: IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Zhang, K.Y.J, Wang, W.
登録日2008-01-29
公開日2008-02-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
著者Ma, Q, Zhang, L, Hilgenfeld, R.
登録日2017-03-15
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
4M37
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BU of 4m37 by Molmil
Crystal structure of Trypanosoma brucei protein arginine methyltransferase 7 complex with AdoHcy
分子名称: Protein arginine N-methyltransferase 7, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, C, Zhu, Y, Shi, Y.
登録日2013-08-06
公開日2014-04-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural determinants for the strict monomethylation activity by trypanosoma brucei protein arginine methyltransferase 7.
Structure, 22, 2014
5WUS
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BU of 5wus by Molmil
Crystal structure of a insect group III chitinase (CAD2) from Ostrinia furnacalis
分子名称: Chitinase
著者Liu, T, Zhou, Y, Yang, Q.
登録日2016-12-20
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
6C0F
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BU of 6c0f by Molmil
Yeast nucleolar pre-60S ribosomal subunit (state 2)
分子名称: 5.8S rRNA, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Sanghai, Z.A, Miller, L, Barandun, J, Hunziker, M, Chaker-Margot, M, Klinge, S.
登録日2017-12-29
公開日2018-03-14
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Modular assembly of the nucleolar pre-60S ribosomal subunit.
Nature, 556, 2018

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