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8JI6
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BU of 8ji6 by Molmil
Crystal structure of AetD in complex with L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI2
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BU of 8ji2 by Molmil
Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI7
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BU of 8ji7 by Molmil
Crystal structure of AetD in complex with L-tryptophan and two Fe2+
分子名称: AetD, FE (II) ION, NICKEL (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8J45
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BU of 8j45 by Molmil
Crystal structure of a Pichia pastoris-expressed IsPETase variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase
著者Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-04-19
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
6KQX
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BU of 6kqx by Molmil
Crystal structure of Yijc from B. subtilis in complex with UDP
分子名称: URIDINE-5'-DIPHOSPHATE, Uncharacterized UDP-glucosyltransferase YjiC
著者Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-08-20
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
6LAA
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BU of 6laa by Molmil
Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ...
著者Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-11-12
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
6KQW
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BU of 6kqw by Molmil
Crystal structure of Yijc from B. subtilis
分子名称: CITRIC ACID, Uncharacterized UDP-glucosyltransferase YjiC
著者Hu, Y.M, Dai, L.H, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-08-20
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural dissection of unnatural ginsenoside-biosynthetic UDP-glycosyltransferase Bs-YjiC from Bacillus subtilis for substrate promiscuity.
Biochem.Biophys.Res.Commun., 534, 2021
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
分子名称: BICINE, Cytochrome P450, GLYCEROL, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-11-21
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
4DJW
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BU of 4djw by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one
分子名称: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJU
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BU of 4dju by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
分子名称: (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJX
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BU of 4djx by Molmil
Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
分子名称: (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Cumming, J.
登録日2012-02-02
公開日2012-03-21
最終更新日2012-04-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
3L59
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BU of 3l59 by Molmil
Structure of BACE Bound to SCH710413
分子名称: (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3MP1
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BU of 3mp1 by Molmil
Complex structure of Sgf29 and trimethylated H3K4
分子名称: ACETATE ION, H3K4me3 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, ...
著者Li, J, Ruan, J, Wu, M, Xue, X, Zang, J.
登録日2010-04-24
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
3MP8
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BU of 3mp8 by Molmil
Crystal structure of Sgf29 tudor domain
分子名称: 4-(HYDROXYMETHYL)BENZAMIDINE, ACETIC ACID, GLYCEROL, ...
著者Li, J, Wu, M, Ruan, J, Zang, J.
登録日2010-04-26
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
3MP6
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BU of 3mp6 by Molmil
Complex Structure of Sgf29 and dimethylated H3K4
分子名称: H3K4me2 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, J, Wu, M, Ruan, J, Zang, J.
登録日2010-04-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
7WYI
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BU of 7wyi by Molmil
Native Photosystem I of Chlamydomonas reinhardtii
分子名称: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
著者Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
登録日2022-02-16
公開日2023-02-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
7WZN
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BU of 7wzn by Molmil
PSI-LHCI from Chlamydomonas reinhardtii with bound ferredoxin
分子名称: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
著者Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
5ENH
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BU of 5enh by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening)
分子名称: PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENB
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BU of 5enb by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENI
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BU of 5eni by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening)
分子名称: PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENJ
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BU of 5enj by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening)
分子名称: MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
6XKC
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BU of 6xkc by Molmil
Crystal structure of E3 ligase
分子名称: Protein fem-1 homolog C
著者Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
登録日2020-06-26
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
6KC0
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BU of 6kc0 by Molmil
fused To-MtbCsm1 with 2ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
著者Li, T, Huo, Y, Jiang, T.
登録日2019-06-26
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
6PI7
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BU of 6pi7 by Molmil
Crystal structure of the TDRD2 extended Tudor domain in complex with an antibody fragment and the PIWIL1 peptide
分子名称: Fab antigen-binding fragment, Piwi-like protein 1, Tudor and KH domain-containing protein, ...
著者Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
登録日2019-06-26
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lesson from a Fab-enabled co-crystallization study of TDRD2 and PIWIL1.
Methods, 175, 2020
6WAT
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BU of 6wat by Molmil
complex structure of PHF1
分子名称: Histone H3.1t peptide, PHD finger protein 1, UNKNOWN ATOM OR ION
著者Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
登録日2020-03-26
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020

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件を2024-10-09に公開中

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