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7KJ0
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BU of 7kj0 by Molmil
hyperoxidized human peroxiredoxin 2
分子名称: Peroxiredoxin-2
著者Kean, K.M, Karplus, P.A.
登録日2020-10-25
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2.
J.Biol.Chem., 296, 2021
7KJ1
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BU of 7kj1 by Molmil
human peroxiredoxin 2 - C172S mutant
分子名称: Peroxiredoxin-2
著者Kean, K.M, Karplus, P.A.
登録日2020-10-25
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2.
J.Biol.Chem., 296, 2021
7KIZ
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BU of 7kiz by Molmil
reduced human peroxiredoxin 2
分子名称: Peroxiredoxin-2
著者Kean, K.M, Karplus, P.A.
登録日2020-10-25
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2.
J.Biol.Chem., 296, 2021
7UR8
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BU of 7ur8 by Molmil
170_h_ob, a small beta-barrel de novo designed protein
分子名称: 170_h_ob
著者Bera, A.K, Kim, D, Baker, D.
登録日2022-04-21
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UR7
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BU of 7ur7 by Molmil
17_bp_sh3, a small beta-barrel de novo designed protein
分子名称: 17_bp_sh3
著者Bera, A.K, Kim, D, Baker, D.
登録日2022-04-21
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献De novo design of small beta barrel proteins.
Proc.Natl.Acad.Sci.USA, 120, 2023
5TBO
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BU of 5tbo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M.
登録日2016-09-12
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
3KAY
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BU of 3kay by Molmil
Crystal structure of abscisic acid receptor PYL1
分子名称: Putative uncharacterized protein At5g46790
著者Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
登録日2009-10-19
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009
3KB0
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BU of 3kb0 by Molmil
Crystal structure of abscisic acid-bound PYL2
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040
著者Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
登録日2009-10-19
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009
3KAZ
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BU of 3kaz by Molmil
Crystal structure of abscisic acid receptor PYL2
分子名称: 1,3-BUTANEDIOL, Putative uncharacterized protein At2g26040
著者Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
登録日2009-10-19
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009
3KB3
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BU of 3kb3 by Molmil
Crystal structure of abscisic acid-bound PYL2 in complex with HAB1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MAGNESIUM ION, Protein phosphatase 2C 16, ...
著者Zhou, X.E, Melcher, K, Soon, F.-F, Ng, L.-M, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
登録日2009-10-20
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009
5T3M
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BU of 5t3m by Molmil
Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7
分子名称: Mu-theraphotoxin-Hs2a
著者Rahnama, S, Sharma, G, Mobli, M.
登録日2016-08-25
公開日2017-09-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The structure, dynamics and selectivity profile of a NaV1.7 potency-optimised huwentoxin-IV variant.
PLoS ONE, 12, 2017
5UBM
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BU of 5ubm by Molmil
Crystal structure of human C1s in complex with inhibitor gigastasin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C1s subcomponent, Gigastasin
著者Pang, S.S, Whisstock, J.C.
登録日2016-12-20
公開日2017-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Structural Basis for Complement Inhibition by Gigastasin, a Protease Inhibitor from the Giant Amazon Leech.
J. Immunol., 199, 2017
7XTW
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BU of 7xtw by Molmil
The structure of IsPETase in complex with MHET
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTR
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BU of 7xtr by Molmil
The apo structure of the engineered TfCut
分子名称: GLYCEROL, LITHIUM ION, SULFATE ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTU
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BU of 7xtu by Molmil
The structure of TfCut S130A
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTS
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BU of 7xts by Molmil
The apo structure of the engineered TfCut S130A
分子名称: SODIUM ION, alpha/beta hydrolase
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTV
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BU of 7xtv by Molmil
The structure of MHET-bound TfCut S130A
分子名称: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTT
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BU of 7xtt by Molmil
The structure of engineered TfCut S130A in complex with MHET
分子名称: 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
5VOK
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BU of 5vok by Molmil
Crystal structure of the C7orf59-HBXIP dimer
分子名称: Ragulator complex protein LAMTOR4, Ragulator complex protein LAMTOR5
著者Rasheed, N, Nascimento, A.F.Z, Bar-Peled, L, Shen, K, Sabatini, D.M, Aparicio, R, Smetana, J.H.C.
登録日2017-05-03
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献C7orf59/Lamtor4 phosphorylation and structural flexibility modulate Ragulator assembly.
Febs Open Bio, 2019
6KCV
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BU of 6kcv by Molmil
Structure of alginate lyase Aly36B mutant K143A/Y185A in complex with alginate tetrasaccharide
分子名称: Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Dong, F, Zhang, Y.Z, Chen, X.L.
登録日2019-06-29
公開日2020-06-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
6KZK
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BU of 6kzk by Molmil
Structure of alginate lyase Aly36B mutant K143A/M171A in complex with alginate trisaccharide
分子名称: Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Zhang, Y.Z, Dong, F, Chen, X.L.
登録日2019-09-24
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
6MOY
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BU of 6moy by Molmil
Crystal structure of the E257A mutant of BlMan5B in complex with GlcNAc (co-crystallization)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BlMan5B
著者Lorizolla-Cordeiro, R, Giuseppe, P.O, Murakami, M.T.
登録日2018-10-05
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献N-glycan Utilization by Bifidobacterium Gut Symbionts Involves a Specialist beta-Mannosidase.
J. Mol. Biol., 431, 2019
6MP7
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BU of 6mp7 by Molmil
Crystal structure of the E257A mutant of BlMan5B in complex with GlcNAc (soaking)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BlMan5B, CITRATE ANION, ...
著者Lorizolla-Cordeiro, R, Giuseppe, P.O, Murakami, M.T.
登録日2018-10-05
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献N-glycan Utilization by Bifidobacterium Gut Symbionts Involves a Specialist beta-Mannosidase.
J. Mol. Biol., 431, 2019
6MP2
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BU of 6mp2 by Molmil
Crystal structure of BlMan5B solved by SIRAS
分子名称: BlMan5B, GLYCEROL
著者Lorizolla-Cordeiro, R, Giuseppe, P.O, Murakami, M.T.
登録日2018-10-05
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献N-glycan Utilization by Bifidobacterium Gut Symbionts Involves a Specialist beta-Mannosidase.
J. Mol. Biol., 431, 2019
6MNH
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BU of 6mnh by Molmil
ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ...
著者Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D.
登録日2018-10-01
公開日2019-03-27
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019

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