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7SS8
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BU of 7ss8 by Molmil
Human P300 complexed with a proline-based inhibitor
分子名称: 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ...
著者Shewchuk, L.M, Reid, R.A.
登録日2021-11-10
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
分子名称: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HEX
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BU of 5hex by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine
分子名称: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-06
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HFU
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BU of 5hfu by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine
分子名称: Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5XRQ
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BU of 5xrq by Molmil
Crystal structure of human monoclonal antibody H3v-47
分子名称: Fab H3v-47 heavy chain, Fab H3v-47 light chain
著者Zhang, H, Willson, I.A.
登録日2017-06-09
公開日2018-07-25
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
7PCZ
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BU of 7pcz by Molmil
Functional and structural characterization of redox sensitive superfolder green fluorescent protein and variants
分子名称: ETHANOL, GLYCEROL, Green fluorescent protein
著者Fritz-Wolf, K, Heimsch, K.C, Schuh, A.K, Becker, K.
登録日2021-08-04
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure and Function of Redox-Sensitive Superfolder Green Fluorescent Protein Variant.
Antioxid.Redox Signal., 37, 2022
7PCA
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BU of 7pca by Molmil
Functional and structural characterization of redox sensitive superfolder green fluorescent protein and variants
分子名称: ETHANOL, FORMAMIDE, GLYCEROL, ...
著者Fritz-Wolf, K, Heimsch, K.C, Schuh, A.K, Becker, K.
登録日2021-08-03
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure and Function of Redox-Sensitive Superfolder Green Fluorescent Protein Variant.
Antioxid.Redox Signal., 37, 2022
7PD0
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BU of 7pd0 by Molmil
Functional and structural characterization of redox sensitive superfolder green fluorescent protein and variants
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Green fluorescent protein, ...
著者Fritz-Wolf, K, Heimsch, K.C, Schuh, A.K, Becker, K.
登録日2021-08-04
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of Redox-Sensitive Superfolder Green Fluorescent Protein Variant.
Antioxid.Redox Signal., 37, 2022
4Q56
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BU of 4q56 by Molmil
Structure of Helix aspersa agglutinin with natural glycosylation and N-acetyl-alpha-D-galactosamine (GalNAc)
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, Helix aspersa agglutinin (HAA), ...
著者Pietrzyk, A.J, Bujacz, A, Bujacz, G.
登録日2014-04-16
公開日2015-10-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural studies of Helix aspersa agglutinin complexed with GalNAc: A lectin that serves as a diagnostic tool.
Int.J.Biol.Macromol., 81, 2015
6XVS
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BU of 6xvs by Molmil
Human myelin protein P2 mutant P38G, unliganded
分子名称: GLYCEROL, Myelin P2 protein
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-22
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
5XRT
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BU of 5xrt by Molmil
Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, H, Wilson, I.A.
登録日2017-06-09
公開日2018-07-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
5XRS
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BU of 5xrs by Molmil
Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus hemagglutinin in complex with LSTc
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, CACODYLATE ION, ...
著者Zhang, H, Wilson, I.A.
登録日2017-06-09
公開日2018-07-25
最終更新日2022-10-12
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
6XUW
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BU of 6xuw by Molmil
Human myelin protein P2 mutant L27D
分子名称: CHLORIDE ION, Myelin P2 protein, PALMITIC ACID
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-21
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XVQ
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BU of 6xvq by Molmil
Human myelin protein P2 mutant K31Q
分子名称: CITRIC ACID, Myelin P2 protein, PALMITIC ACID
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-22
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XVY
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BU of 6xvy by Molmil
Human myelin protein P2 mutant R88Q
分子名称: CHLORIDE ION, CITRIC ACID, Myelin P2 protein, ...
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-22
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XU5
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BU of 6xu5 by Molmil
Human myelin protein P2 mutant N2D
分子名称: CITRIC ACID, Myelin P2 protein, PALMITIC ACID
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-17
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6STS
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BU of 6sts by Molmil
Human myelin protein P2 mutant R30Q
分子名称: Myelin P2 protein, PALMITIC ACID, SULFATE ION
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2019-09-11
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6T6R
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BU of 6t6r by Molmil
Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
分子名称: (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ...
著者Rowland, P.
登録日2019-10-18
公開日2020-03-18
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.
J.Med.Chem., 63, 2020
6XUA
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BU of 6xua by Molmil
Human myelin protein P2 mutant K21Q
分子名称: CITRIC ACID, Myelin P2 protein, PALMITIC ACID
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-17
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XW9
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BU of 6xw9 by Molmil
Human myelin protein P2 mutant K120S
分子名称: CHLORIDE ION, Myelin P2 protein, PALMITIC ACID
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-23
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XU9
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BU of 6xu9 by Molmil
Human myelin protein P2 mutant K3N
分子名称: CHLORIDE ION, CITRIC ACID, Myelin P2 protein, ...
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-17
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XVR
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BU of 6xvr by Molmil
Human myelin protein P2 mutant L35S
分子名称: Myelin P2 protein, PALMITIC ACID, SULFATE ION
著者Ruskamo, S, Lehtimaki, M, Kursula, P.
登録日2020-01-22
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
5KUX
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BU of 5kux by Molmil
Designed influenza hemagglutinin binding protein HSB.2
分子名称: Designed influenza inhibitor protein HSB.2
著者Lee, P.S, Bernard, S.M, Wilson, I.A.
登録日2016-07-13
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
5KUY
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BU of 5kuy by Molmil
Influenza hemagglutinin H3 A/Hong Kong/1/1968 in complex with designed inhibitor protein HSB.2A
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, Designed influenza inhibitor HSB.2A, ...
著者Bernard, S.M, Wilson, I.A.
登録日2016-07-13
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
6Q3O
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BU of 6q3o by Molmil
PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE
分子名称: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ...
著者Zeberko, C, Langlois d'Estaintot, B, Fischer, L, Granier, T, Kauffmann, B, Huc, I.
登録日2018-12-04
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE
To Be Published

222415

件を2024-07-10に公開中

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