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7WQ0
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BU of 7wq0 by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase, ...
著者Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
登録日2022-01-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
7WPL
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BU of 7wpl by Molmil
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase
著者Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H.
登録日2022-01-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
5Z7E
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BU of 5z7e by Molmil
Horse Heart Myoglobin Mutant - H93M
分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yi, J.
登録日2018-01-28
公開日2019-01-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Horse Heart Myoglobin Mutant - H93M
To Be Published
5Z7F
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BU of 5z7f by Molmil
Horse Heart Myoglobin Mutant -V68A/I107Y-Sulfide Derivative
分子名称: GLYCEROL, HYDROSULFURIC ACID, Myoglobin, ...
著者Yi, J.
登録日2018-01-28
公開日2019-01-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Horse Heart Myoglobin Mutant -V68A/I107Y-Sulfide Derivative
To Be Published
7VCK
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BU of 7vck by Molmil
NMR solution structures of a hairpin formed by GGCCTG repeats
分子名称: DNA (5'-D(*GP*GP*CP*CP*TP*GP*GP*GP*CP*CP*TP*G)-3'), SODIUM ION
著者Yi, J, Wan, L, Guo, P.
登録日2021-09-03
公開日2022-02-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structures of d(GGCCTG)n repeats associated with spinocerebellar ataxia type 36.
Int.J.Biol.Macromol., 201, 2022
6NQ5
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BU of 6nq5 by Molmil
human (alpha met/beta hemichrome) hemoglobin with S-nitrosation at beta-Cys93
分子名称: FE (III) ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Yi, J.
登録日2019-01-19
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献human (alpha met/beta hemichrome) hemoglobin with S-nitrosation at beta-Cys93
To Be Published
6J5I
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BU of 6j5i by Molmil
Cryo-EM structure of the mammalian DP-state ATP synthase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F1 subunit epsilon, ...
著者Gu, J, Zhang, L, Yi, J, Yang, M.
登録日2019-01-11
公開日2019-06-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019
6J54
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BU of 6j54 by Molmil
Cryo-EM structure of the mammalian E-state ATP synthase FO section
分子名称: ATP synthase membrane subunit 6.8PL, ATP synthase membrane subunit DAPIT, ATP synthase peripheral stalk-membrane subunit b, ...
著者Gu, J, Zhang, L, Yi, J, Yang, M.
登録日2019-01-10
公開日2019-06-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019
6J5A
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BU of 6j5a by Molmil
Cryo-EM structure of the mammalian DP-state ATP synthase FO section
分子名称: ATP synthase membrane subunit 6.8PL, ATP synthase membrane subunit DAPIT, ATP synthase peripheral stalk-membrane subunit b, ...
著者Gu, J, Zhang, L, Yi, J, Yang, M.
登録日2019-01-10
公開日2019-06-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.35 Å)
主引用文献Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019
6J5K
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BU of 6j5k by Molmil
Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F1 subunit alpha, ...
著者Gu, J, Zhang, L, Yi, J, Yang, M.
登録日2019-01-11
公開日2019-06-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019
6J5J
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BU of 6j5j by Molmil
Cryo-EM structure of the mammalian E-state ATP synthase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F1 subunit epsilon, ...
著者Gu, J, Zhang, L, Yi, J, Yang, M.
登録日2019-01-11
公開日2019-06-26
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019
8J2F
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BU of 8j2f by Molmil
Human neutral shpingomyelinase
分子名称: HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ...
著者Zhang, S.S.
登録日2023-04-14
公開日2023-12-06
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2).
Nat Commun, 14, 2023
3UWP
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BU of 3uwp by Molmil
Crystal structure of Dot1l in complex with 5-iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-12-02
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
8X1V
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BU of 8x1v by Molmil
NMR structure of a bimolecular parallel G-quadruplex formed by AAGGG repeats from pathogenic RFC1 gene
分子名称: DNA (5'-D(*AP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*A)-3')
著者Wang, Y, Guo, P, Han, D.
登録日2023-11-08
公開日2024-01-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation of pathogenic RFC1 AAGGG pentanucleotide repeats reveals a role of G-quadruplex in dysregulated gene expression in CANVAS.
Nucleic Acids Res., 52, 2024
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
分子名称: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
分子名称: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4EQZ
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BU of 4eqz by Molmil
Crystal structure of human DOT1L in complex with inhibitor FED2
分子名称: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER0
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BU of 4er0 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor FED1
分子名称: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
8Y33
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BU of 8y33 by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2024-01-28
公開日2024-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
4ER6
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BU of 4er6 by Molmil
Crystal structure of human DOT1L in complex with inhibitor SGC0946
分子名称: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER7
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BU of 4er7 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor SGC0947
分子名称: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6VN7
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BU of 6vn7 by Molmil
Cryo-EM structure of an activated VIP1 receptor-G protein complex
分子名称: CHOLESTEROL, 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Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J.
登録日2020-01-29
公開日2020-09-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy.
Nat Commun, 11, 2020
7CK6
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BU of 7ck6 by Molmil
Protein translocase of mitochondria
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ...
著者Yang, M, Wang, W, Zhang, L, Chen, X.
登録日2020-07-15
公開日2020-11-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Atomic structure of human TOM core complex.
Cell Discov, 6, 2020
5E1R
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BU of 5e1r by Molmil
Crystal structure of pecan (carya illinoinensis) vicilin, a new food allergen
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7S vicilin, COPPER (II) ION
著者Zhang, Y.Z.
登録日2015-09-30
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Identification and Characterization of a New Pecan [Carya illinoinensis (Wangenh.) K. Koch] Allergen, Car i 2.
J.Agric.Food Chem., 64, 2016
8J1X
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BU of 8j1x by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2023-04-13
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024

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