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7MTZ
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Structure of the adeno-associated virus 9 capsid at pH pH 7.4 in complex with terminal galactose
分子名称: Capsid protein VP1, beta-D-galactopyranose
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-14
公開日2021-06-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
7MUA
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Structure of the adeno-associated virus 9 capsid at pH pH 5.5 in complex with terminal galactose
分子名称: Capsid protein VP1, beta-D-galactopyranose
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-14
公開日2021-06-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
7MTG
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BU of 7mtg by Molmil
Structure of the adeno-associated virus 9 capsid at pH 6.0
分子名称: Capsid protein VP1
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-13
公開日2021-07-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
7MTP
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BU of 7mtp by Molmil
Structure of the adeno-associated virus 9 capsid at pH 5.5
分子名称: Capsid protein VP1
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-13
公開日2021-07-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
7MTW
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BU of 7mtw by Molmil
Structure of the adeno-associated virus 9 capsid at pH 4.0
分子名称: Capsid protein VP1
著者Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M.
登録日2021-05-13
公開日2021-07-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
8TEX
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BU of 8tex by Molmil
Avian Adeno-associated virus - empty capsid
分子名称: Capsid protein
著者Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R.
登録日2023-07-07
公開日2023-08-30
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Structural and antigenic characterization of the avian adeno-associated virus capsid.
J.Virol., 97, 2023
8TEY
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BU of 8tey by Molmil
Avian Adeno-associated virus - empty capsid
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein
著者Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R.
登録日2023-07-07
公開日2023-08-30
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural and antigenic characterization of the avian adeno-associated virus capsid.
J.Virol., 97, 2023
7RKL
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BU of 7rkl by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space group)
分子名称: 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein, SULFATE ION
著者Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
登録日2021-07-22
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7RKK
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Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (C2 space group)
分子名称: 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein
著者Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
登録日2021-07-22
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7SS1
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BU of 7ss1 by Molmil
The structure of NTMT1 in complex with compound GD433
分子名称: (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Yadav, R, Guangping, D, Deng, Y, Huang, R, Noinaj, N.
登録日2021-11-09
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a first-in-class small molecule inhibitor for Protein N-terminal methyltransferases 1/2
To Be Published
7SOK
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BU of 7sok by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
分子名称: (2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid, DI(HYDROXYETHYL)ETHER, NNMT protein
著者Yadav, R, Iyamu, I.D, Huang, R, Noinaj, N.
登録日2021-10-31
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
To Be Published
5VCA
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BU of 5vca by Molmil
VCP like ATPase from T. acidophilum (VAT)-Substrate bound conformation
分子名称: VCP-like ATPase
著者Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L.
登録日2017-03-31
公開日2017-04-26
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure of a AAA+ unfoldase in the process of unfolding substrate.
Elife, 6, 2017
5VC7
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BU of 5vc7 by Molmil
VCP like ATPase from T. acidophilum (VAT) - conformation 1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, VCP-like ATPase
著者Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L.
登録日2017-03-31
公開日2017-04-26
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of a AAA+ unfoldase in the process of unfolding substrate.
Elife, 6, 2017
8G2G
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BU of 8g2g by Molmil
Crystal structure of PRMT3 with compound YD1113
分子名称: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION
著者Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J.
登録日2023-02-03
公開日2023-04-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2F
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BU of 8g2f by Molmil
Crystal Structure of PRMT3 with Compound II710
分子名称: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-05-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2H
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BU of 8g2h by Molmil
Crystal Structure of PRMT4 with Compound YD1113
分子名称: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2I
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BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
分子名称: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
6WH8
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BU of 6wh8 by Molmil
The structure of NTMT1 in complex with compound BM-30
分子名称: 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ...
著者Noinaj, N, Chen, D, Huang, R.
登録日2020-04-07
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies.
J.Med.Chem., 63, 2020
6PVB
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BU of 6pvb by Molmil
The structure of NTMT1 in complex with compound 6
分子名称: AMINO GROUP-()-(2~{S})-2-azanylpropanal-()-ISOLEUCINE-()-ARGININE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Noinaj, N, Chen, D, Huang, R.
登録日2019-07-20
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.
J.Med.Chem., 63, 2020
7N0H
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BU of 7n0h by Molmil
CryoEM structure of SARS-CoV-2 spike protein (S-6P, 2-up) in complex with sybodies (Sb45)
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, Spike glycoprotein, ...
著者Jiang, J, Huang, R, Margulies, D.
登録日2021-05-25
公開日2021-06-02
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
7N0G
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BU of 7n0g by Molmil
CryoEm structure of SARS-CoV-2 spike protein (S-6P, 1-up) in complex with sybodies (Sb45)
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, Spike glycoprotein, ...
著者Jiang, J, Huang, R, Margulies, D.
登録日2021-05-25
公開日2021-06-02
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
6PVA
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BU of 6pva by Molmil
The structure of NTMT1 in complex with compound 11
分子名称: AMINO GROUP-()-LYSINE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, N-terminal Xaa-Pro-Lys N-methyltransferase 1
著者Noinaj, N, Chen, D, Huang, R.
登録日2019-07-20
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The structure of NTMT1 in complex with compound 11
To Be published
6UI7
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BU of 6ui7 by Molmil
HBV T=4 149C3A
分子名称: Core protein
著者Wu, W, Watts, N.R, Cheng, N, Huang, R, Steven, A, Wingfield, P.T.
登録日2019-09-30
公開日2019-11-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Expression of quasi-equivalence and capsid dimorphism in the Hepadnaviridae.
Plos Comput.Biol., 16, 2020
6UI6
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HBV T=3 149C3A
分子名称: Core protein
著者Wu, W, Watts, N.R, Cheng, N, Huang, R, Steven, A, Wingfield, P.T.
登録日2019-09-30
公開日2019-11-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Expression of quasi-equivalence and capsid dimorphism in the Hepadnaviridae.
Plos Comput.Biol., 16, 2020
6WJ7
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BU of 6wj7 by Molmil
The structure of NTMT1 in complex with compound C2A
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, GLY-PRO-LYS-ARG-ILE-ALA-NH2, N-terminal Xaa-Pro-Lys N-methyltransferase 1
著者Srinivasan, K, Chen, D, Huang, R, Noinaj, N.
登録日2020-04-13
公開日2020-08-19
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.
J.Med.Chem., 63, 2020

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