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6WZY
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BU of 6wzy by Molmil
Structure of DbNA(10) peptides bound to H-2Db MHC-I
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Farenc, C, Rossjohn, J.
登録日2020-05-14
公開日2020-09-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
6XMH
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BU of 6xmh by Molmil
Human aldolase A wild type
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XMM
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BU of 6xmm by Molmil
Human aldolase A I98S
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Brewer, K, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XML
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BU of 6xml by Molmil
Human aldolase A I98C
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Brewer, K, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XMO
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BU of 6xmo by Molmil
Human aldolase A I98F
分子名称: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
著者Meneely, K.M, Lamb, A.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
2XR9
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BU of 2xr9 by Molmil
Crystal structure of Autotaxin (ENPP2)
分子名称: CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ...
著者Kamtekar, S, Hausmann, J, Day, J.E, Christodoulou, E, Perrakis, A.
登録日2010-09-13
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of substrate discrimination and integrin binding by autotaxin.
Nat. Struct. Mol. Biol., 18, 2011
8FHS
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BU of 8fhs by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-12-15
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
2XRG
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BU of 2xrg by Molmil
Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor
分子名称: CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ...
著者Hausmann, J, Albers, H.M.H.G, Perrakis, A.
登録日2010-09-14
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis of Substrate Discrimination and Integrin Binding by Autotaxin.
Nat.Struct.Mol.Biol., 18, 2011
3LRU
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BU of 3lru by Molmil
hPRP8 Non-Native Subdomain
分子名称: Pre-mRNA-processing-splicing factor 8
著者Schellenberg, M.J, Ritchie, D.B, MacMillan, A.M.
登録日2010-02-11
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Context-dependent remodeling of structure in two large protein fragments.
J.Mol.Biol., 402, 2010
4DK5
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BU of 4dk5 by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
分子名称: 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-02-03
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
7L33
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BU of 7l33 by Molmil
X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer
分子名称: COPPER (II) ION, Cu-3SCC
著者Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D.
登録日2020-12-17
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
7F17
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BU of 7f17 by Molmil
Crystal Structure of acid phosphatase
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Rao, Y.J, Liu, L.M, Wu, J.
登録日2021-06-08
公開日2021-10-27
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
1Q6B
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BU of 1q6b by Molmil
Solution Structure of the C-terminal Domain of Thermosynechococcus elongatus KaiA (ThKaiA180C); Ensemble of 25 Structures
分子名称: Circadian clock protein KaiA homolog
著者Vakonakis, I, Sun, J, Golden, S.S, Holzenburg, A, LiWang, A.C.
登録日2003-08-13
公開日2003-08-19
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献NMR structure of the KaiC-interacting C-terminal domain of KaiA, a circadian clock protein: implications for KaiA-KaiC interaction
Proc.Natl.Acad.Sci.USA, 101, 2004
8W9B
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BU of 8w9b by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site
分子名称: 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Huang, X, Ren, X, Zhong, W.
登録日2023-09-05
公開日2024-04-17
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
8W9A
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BU of 8w9a by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
分子名称: 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Huang, X, Ren, X, Zhong, W.
登録日2023-09-05
公開日2024-04-17
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
8WE6
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BU of 8we6 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE9
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BU of 8we9 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Fan, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE8
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BU of 8we8 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WEA
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BU of 8wea by Molmil
Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Fan, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
8WE7
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BU of 8we7 by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2023-09-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
7F18
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Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R)
分子名称: Acid phosphatase
著者Xu, X, Hou, X.D, Song, W, Yin, D.J, Rao, Y.J, Liu, L.M.
登録日2021-06-08
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021

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