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2QZU
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BU of 2qzu by Molmil
Crystal structure of the putative sulfatase yidJ from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR123
分子名称: Putative sulfatase yidJ
著者Vorobiev, S.M, Abashidze, M, Seetharaman, J, Wang, D, Cunningham, K, Maglaqui, M, Owens, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-08-17
公開日2007-09-04
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray crystal structure of the putative sulfatase yidJ from Bacteroides fragilis.
To be Published
6TOD
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BU of 6tod by Molmil
Crystal structure of the Orexin-1 receptor in complex with EMPA
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-11
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
6YYK
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BU of 6yyk by Molmil
Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To Be Published
6YYF
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BU of 6yyf by Molmil
Crystal Structure of 5-chloroindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 5-chloranyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To Be Published
5E37
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BU of 5e37 by Molmil
Redox protein from Chlamydomonas reinhardtii
分子名称: CALCIUM ION, EF-Hand domain-containing thioredoxin
著者Charoenwattansatien, R, Hochmal, A.K, Zinzius, K, Muto, R, Tanaka, H, Hippler, M, Kurisu, G.
登録日2015-10-02
公開日2016-06-22
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Calredoxin represents a novel type of calcium-dependent sensor-responder connected to redox regulation in the chloroplast
Nat Commun, 7, 2016
6TQ9
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BU of 6tq9 by Molmil
Crystal structure of the Orexin-1 receptor in complex with SB-408124
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-16
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
5EC9
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BU of 5ec9 by Molmil
Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2
分子名称: 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha
著者Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R.
登録日2015-10-20
公開日2016-03-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation.
J.Med.Chem., 59, 2016
7MPB
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BU of 7mpb by Molmil
SARS Coronavirus-2 Main Protease 3CL-pro binding Ascorbate
分子名称: 3C-like proteinase, ASCORBIC ACID, TRIFLUOROETHANOL
著者Pandey, S, Malla, T.N, Stojkovic, E.A, Schmidt, M.
登録日2021-05-04
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Vitamin C inhibits SARS coronavirus-2 main protease essential for viral replication
Biorxiv, 2021
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2015-10-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6YYG
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BU of 6yyg by Molmil
Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
分子名称: 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ...
著者Brear, P, Wagstaff, J, Hyvonen, M.
登録日2020-05-05
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Optimising crystallographic systems for structure-guided drug discovery
To Be Published
6Z0E
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BU of 6z0e by Molmil
HtrA1 inactive protease domain S328A with CARASIL mutation R274Q
分子名称: CALCIUM ION, Serine protease HTRA1
著者Vetter, I.R, Stege, P, Ingendahl, L, Ehrmann, M.
登録日2020-05-08
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Repair strategies addressing pathogenic protein conformations
To Be Published
6Z0Y
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BU of 6z0y by Molmil
HtrA1 inactive protease domain S328A with CARASIL mutations D174R R274Q
分子名称: SULFATE ION, Serine protease HTRA1
著者Vetter, I.R, Stege, P, Ingendahl, L, Ehrmann, M.
登録日2020-05-11
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Repair strategies addressing pathogenic protein conformations
To Be Published
6TO7
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BU of 6to7 by Molmil
Crystal structure of the Orexin-1 receptor in complex with suvorexant at 2.29 A resolution
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-11
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
6Z0Z
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BU of 6z0z by Molmil
Human wtSTING in complex with 3',3'-c-(2'FdAMP-2'FdAMP)
分子名称: 2'-fluoro-,3',3'-c-di-AMP, Stimulator of interferon protein
著者Boura, E, Smola, M.
登録日2020-05-11
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Z0X
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BU of 6z0x by Molmil
HtrA1 inactive protease domain S328A with CARASIL mutations D174R R274Q
分子名称: SULFATE ION, Serine protease HTRA1
著者Vetter, I.R, Stege, P, Ingendahl, L, Ehrmann, M.
登録日2020-05-11
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Repair strategies addressing pathogenic protein conformations
To Be Published
5LH1
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BU of 5lh1 by Molmil
Low dose Thaumatin - 360-400 ms.
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M.
登録日2016-07-08
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution.
IUCrJ, 3, 2016
2FT9
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BU of 2ft9 by Molmil
Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic acid
分子名称: CHOLIC ACID, Fatty acid-binding protein 2, liver
著者Capaldi, S, Guariento, M, Perduca, M, Di Pietro, S.M, Santome, J.A, Monaco, H.L.
登録日2006-01-24
公開日2006-04-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic and oleic acid
Proteins, 64, 2006
6TJP
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BU of 6tjp by Molmil
Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve - P212121
分子名称: Portal protein
著者Fabrega-Ferrer, M, Cuervo, A, Fernandez, F.J, Machon, C, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M.
登録日2019-11-26
公開日2020-12-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.74 Å)
主引用文献Using a partial atomic model from medium-resolution cryo-EM to solve a large crystal structure.
Acta Crystallogr D Struct Biol, 77, 2021
6TPJ
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BU of 6tpj by Molmil
Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution
分子名称: AMMONIUM ION, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-13
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
8JL9
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BU of 8jl9 by Molmil
Cryo-EM structure of the human nucleosome with scFv
分子名称: DNA (193-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H.
登録日2023-06-02
公開日2023-10-04
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Contributions of histone tail clipping and acetylation in nucleosome transcription by RNA polymerase II.
Nucleic Acids Res., 51, 2023
6TQ7
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BU of 6tq7 by Molmil
Crystal structure of the Orexin-1 receptor in complex with SB-334867
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-16
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6636 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
8JLB
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BU of 8jlb by Molmil
Cryo-EM structure of the 145 bp human nucleosome containing H3.2 C110A mutant
分子名称: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H.
登録日2023-06-02
公開日2023-10-04
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献Contributions of histone tail clipping and acetylation in nucleosome transcription by RNA polymerase II.
Nucleic Acids Res., 51, 2023
5LIJ
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BU of 5lij by Molmil
polyalanine chain built in bacteriophage phi812K1-420 cement protein density map
分子名称: polyalanine chain built in bacteriophage phi812K1-420 cement protein density map
著者Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P.
登録日2016-07-14
公開日2017-07-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8JLD
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BU of 8jld by Molmil
Cryo-EM structure of the 145 bp human nucleosome containing acetylated H3 tail
分子名称: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H.
登録日2023-06-02
公開日2023-10-04
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Contributions of histone tail clipping and acetylation in nucleosome transcription by RNA polymerase II.
Nucleic Acids Res., 51, 2023
5M3L
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BU of 5m3l by Molmil
Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris hemoglobin
分子名称: Extracellular globin-2, Extracellular globin-3, Extracellular globin-4, ...
著者Afanasyev, P, Linnemayr-Seer, C, Ravelli, R.B.G, Matadeen, R, De Carlo, S, Alewijnse, B, Portugal, R.V, Pannu, N.S, Schatz, M, van Heel, M.
登録日2016-10-15
公開日2017-09-13
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris haemoglobin.
IUCrJ, 4, 2017

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