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6KA3
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BU of 6ka3 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum
分子名称: PALMITIC ACID, SULFATE ION, Thebaine synthase 2
著者Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-06-20
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
7CV9
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BU of 7cv9 by Molmil
RNA methyltransferase METTL4
分子名称: GLYCEROL, Methyltransferase-like protein 2, S-ADENOSYL-L-HOMOCYSTEINE
著者Luo, Q, Ma, J.
登録日2020-08-25
公開日2021-09-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CVA
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BU of 7cva by Molmil
RNA methyltransferase METTL4
分子名称: Methyltransferase-like protein 2
著者Luo, Q, Ma, J.
登録日2020-08-25
公開日2021-09-01
最終更新日2022-10-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV7
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BU of 7cv7 by Molmil
RNA methyltransferase METTL4
分子名称: Methyltransferase-like protein 2, S-ADENOSYLMETHIONINE
著者Luo, Q, Ma, J.
登録日2020-08-25
公開日2021-09-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV6
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BU of 7cv6 by Molmil
RNA methyltransferase METTL4
分子名称: 2'-O-methyladenosine 5'-(dihydrogen phosphate), Methyltransferase-like protein 2, S-ADENOSYL-L-HOMOCYSTEINE
著者Luo, Q, Ma, J.
登録日2020-08-25
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV8
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BU of 7cv8 by Molmil
RNA methyltransferase METTL4
分子名称: GLYCEROL, Methyltransferase-like protein 2, SINEFUNGIN
著者Luo, Q, Ma, J.
登録日2020-08-25
公開日2021-09-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7BP4
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BU of 7bp4 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASP-ASP-ASP-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP6
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BU of 7bp6 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: Histone H2A.6, Histone H2B.1, NRP1-CTAD
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP2
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BU of 7bp2 by Molmil
Structural mechanism directing nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP5
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BU of 7bp5 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASN-ASP-PRO-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7F18
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BU of 7f18 by Molmil
Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R)
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Yin, D.J, Rao, Y.J, Liu, L.M.
登録日2021-06-08
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
7F17
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BU of 7f17 by Molmil
Crystal Structure of acid phosphatase
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Rao, Y.J, Liu, L.M, Wu, J.
登録日2021-06-08
公開日2021-10-27
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
2F5J
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BU of 2f5j by Molmil
Crystal structure of MRG domain from human MRG15
分子名称: Mortality factor 4-like protein 1
著者Zhang, P, Du, J, Ding, J.
登録日2005-11-26
公開日2006-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The MRG domain of human MRG15 uses a shallow hydrophobic pocket to interact with the N-terminal region of PAM14
Protein Sci., 15, 2006
3NNJ
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BU of 3nnj by Molmil
Halogenase domain from CurA module (apo Hal)
分子名称: CurA
著者Khare, D, Smith, J.L.
登録日2010-06-23
公開日2010-07-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
3NNL
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BU of 3nnl by Molmil
Halogenase domain from CurA module (crystal form III)
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, CurA, ...
著者Khare, D, Smith, J.L.
登録日2010-06-23
公開日2010-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.883 Å)
主引用文献Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
3NNF
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BU of 3nnf by Molmil
Halogenase domain from CurA module with Fe, chloride, and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, CurA, ...
著者Khare, D, Smith, J.L.
登録日2010-06-23
公開日2010-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
3NNM
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BU of 3nnm by Molmil
Halogenase domain from CurA module (crystal form IV)
分子名称: CurA, FORMIC ACID
著者Khare, D, Smith, J.L.
登録日2010-06-23
公開日2010-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
4PJV
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BU of 4pjv by Molmil
Structure of PARP2 catalytic domain bound to inhibitor BMN 673
分子名称: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, GLYCEROL, Poly [ADP-ribose] polymerase 2
著者Aoyagi-Scharber, M, Gardberg, A.S, Edwards, T.L.
登録日2014-05-12
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
4PJT
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BU of 4pjt by Molmil
Structure of PARP1 catalytic domain bound to inhibitor BMN 673
分子名称: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
著者Aoyagi-Scharber, M, Gardberg, A.S, Arakaki, T.L.
登録日2014-05-12
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
4IH5
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BU of 4ih5 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase
著者Harris, S.F, Ghate, M.
登録日2012-12-18
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IH7
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BU of 4ih7 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION
著者Harris, S.F, Wong, A.
登録日2012-12-18
公開日2013-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IH6
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BU of 4ih6 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase
著者Harris, S.F, Wong, A.
登録日2012-12-18
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
3V8S
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BU of 3v8s by Molmil
Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18)
分子名称: 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea, Rho-associated protein kinase 1
著者Martin, M.P, Zhu, J.-Yi, Schonbrunn, E.
登録日2011-12-23
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.286 Å)
主引用文献Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors.
J.Med.Chem., 55, 2012
7U34
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BU of 7u34 by Molmil
The structure of phosphoglucose isomerase from Aspergillus fumigatus
分子名称: CHLORIDE ION, CITRATE ANION, GLYCEROL, ...
著者Yan, K, Kowalski, B, Fang, W, van Aalten, D.
登録日2022-02-25
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
7BDS
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BU of 7bds by Molmil
Structure of CTX-M-15 crystallised in the presence of tazobactam
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-12-22
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022

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