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4MCD
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BU of 4mcd by Molmil
hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
分子名称: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase
著者Lahiri, S.
登録日2013-08-21
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
7VEG
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BU of 7veg by Molmil
Understanding NH-pi interaction between Gln and Phe
分子名称: (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide, ACETYLAMINO-ACETIC ACID, peptide
著者Fan, S, Xu, F.
登録日2021-09-08
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.385 Å)
主引用文献Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
5WVB
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BU of 5wvb by Molmil
Crystal structure of a mutant insect group III chitinase complex with (GlcNAc)6 (CAD1-E217L-(GlcNAc)6 ) from Ostrinia furnacalis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
著者Liu, T, Zhou, Y, Yang, Q.
登録日2016-12-23
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.099 Å)
主引用文献The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
3T7I
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BU of 3t7i by Molmil
Crystal structure of Se-Met Rtt107p (residues 820-1070)
分子名称: Regulator of Ty1 transposition protein 107
著者Li, X, Li, F, Wu, J, Shi, Y.
登録日2011-07-30
公開日2012-02-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of C-terminal Tandem BRCT Repeats of Rtt107 Protein Reveals Critical Role in Interaction with Phosphorylated Histone H2A during DNA Damage Repair
J.Biol.Chem., 287, 2012
3J9L
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BU of 3j9l by Molmil
Structure of Dark apoptosome from Drosophila melanogaster
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK
著者Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y.
登録日2015-02-04
公開日2015-02-25
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
3C4F
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BU of 3c4f by Molmil
FGFR TYROSINE KINASE DOMAIN IN COMPLEX WITH 3-(3-methoxybenzyl)-7-azaindole
分子名称: 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine, Basic fibroblast growth factor receptor 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 (2.07 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
6BLX
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BU of 6blx by Molmil
Crystal structure of IAg7 in complex with insulin mimotope p8G9E
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Y, Dai, S.
登録日2017-11-11
公開日2017-12-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.323 Å)
主引用文献C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BSJ
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BU of 6bsj by Molmil
Structure of HIV-1 RT complexed with an RNA/DNA hybrid sequence non-preferred for RNA hydrolysis
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*TP*AP*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 (2.89 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
6BSI
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Structure of HIV-1 RT complexed with an RNA/DNA hybrid containing the polypurine-tract sequence
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*TP*TP*TP*TP*CP*TP*TP*TP*TP*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 (3.25 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
3V43
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BU of 3v43 by Molmil
Crystal structure of MOZ
分子名称: ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ...
著者Qiu, Y, Li, F.
登録日2011-12-14
公開日2012-06-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription
Genes Dev., 26, 2012
5WUP
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BU of 5wup by Molmil
Crystal structure of a insect group III chitinase (CAD1) 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 (2.3 Å)
主引用文献The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
5WVG
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BU of 5wvg by Molmil
Crystal structure of a mutant insect group III chitinase complex with (GlcNAc)5 (CAD1-E647L-(GlcNAc)5 ) from Ostrinia furnacalis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
著者Liu, T, Zhou, Y, Yang, Q.
登録日2016-12-24
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献The deduced role of a chitinase containing two nonsynergistic catalytic domains
Acta Crystallogr D Struct Biol, 74, 2018
7DBF
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BU of 7dbf by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase
分子名称: Guanosine deaminase, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-20
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7DC9
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BU of 7dc9 by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase mutant E82Q complex with guanosine
分子名称: GUANOSINE, Guanosine deaminase, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-23
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7DCA
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BU of 7dca by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase bound by xanthosine
分子名称: 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-23
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7D54
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BU of 7d54 by Molmil
Crstal structure MsGATase with Gln
分子名称: GLUTAMINE, Glutamine amidotransferase class-I
著者Chen, Y, Zhang, Q, Bartlam, M.
登録日2020-09-24
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
6CB1
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BU of 6cb1 by Molmil
Yeast nucleolar pre-60S ribosomal subunit (state 3)
分子名称: 35S pre-ribosomal RNA miscRNA, 5.8S rRNA, 60S ribosomal protein L13-A, ...
著者Sanghai, Z.A, Miller, L, Barandun, J, Hunziker, M, Chaker-Margot, M, Klinge, S.
登録日2018-02-01
公開日2018-03-14
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Modular assembly of the nucleolar pre-60S ribosomal subunit.
Nature, 556, 2018
7D4R
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BU of 7d4r by Molmil
SpuA native structure
分子名称: MAGNESIUM ION, Probable glutamine amidotransferase
著者Chen, Y, Zhang, Q, Bartlam, M.
登録日2020-09-24
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7D53
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SpuA mutant - H221N with Glu
分子名称: GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase
著者Chen, Y, Zhang, Q, Bartlam, M.
登録日2020-09-24
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7WCM
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BU of 7wcm by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist MBX-2982
分子名称: 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A.N, Wu, S, Ye, S.
登録日2021-12-20
公開日2022-12-21
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
7WCN
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Cryo-EM structure of GPR119-Gs Complex with small molecule agonist AR231453
分子名称: Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Qiao, A.N, Wu, S, Ye, S.
登録日2021-12-20
公開日2022-12-21
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
3WMB
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BU of 3wmb by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q1
分子名称: 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase
著者Liu, T, 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 (2.7 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
3N3K
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BU of 3n3k by Molmil
The catalytic domain of USP8 in complex with a USP8 specific inhibitor
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2010-05-20
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
7DGY
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BU of 7dgy by Molmil
De novo designed protein H4C2R
分子名称: de novo designed protein H4C2R
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-12-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022

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