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4CXY
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BU of 4cxy by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 21
分子名称: (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXX
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BU of 4cxx by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 16
分子名称: (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXW
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BU of 4cxw by Molmil
Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
分子名称: (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
著者Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
登録日2014-04-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
7F5G
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BU of 7f5g by Molmil
The crystal structure of RBD-Nanobody complex, DL4 (SA4)
分子名称: ACETATE ION, GLYCEROL, Nanobody DL4, ...
著者Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
登録日2021-06-22
公開日2022-05-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Isolation, characterization, and structure-based engineering of a neutralizing nanobody against SARS-CoV-2.
Int.J.Biol.Macromol., 209, 2022
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
分子名称: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
著者Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
6F2S
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BU of 6f2s by Molmil
CryoEM structure of Ageratum Yellow Vein virus (AYVV)
分子名称: Capsid protein, coat protein subunit H, coat protein subunit I, ...
著者Hesketh, E.L, Saunders, K, Fisher, C, Potze, J, Stanley, J, Lomonossoff, G.P, Ranson, N.A.
登録日2017-11-27
公開日2018-06-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The 3.3 angstrom structure of a plant geminivirus using cryo-EM.
Nat Commun, 9, 2018
5JXV
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BU of 5jxv by Molmil
Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1)
分子名称: Immunoglobulin G-binding protein G
著者Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-13
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JZR
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BU of 5jzr by Molmil
Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles
分子名称: Coat protein
著者Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-17
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
8ZCI
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BU of 8zci by Molmil
X-ray structure of the human heart fatty acid-binding protein complexed with R-Ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Sugiyama, S, Tanaka, J, Matsuoka, S, Murata, M.
登録日2024-04-29
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献X-ray structure of the human heart fatty acid-binding protein complexed with R-Ibuprofen
To Be Published
6TK2
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BU of 6tk2 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ms structure of KR2 with extrapolated, light and dark datasets
分子名称: EICOSANE, RETINAL, SODIUM ION, ...
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6TK1
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BU of 6tk1 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 20ms structure of KR2 with extrapolated, light and dark datasets
分子名称: EICOSANE, RETINAL, SODIUM ION, ...
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6TK5
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BU of 6tk5 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: 800fs+2ps structure of KR2 with extrapolated, light and dark datasets
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6TK7
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BU of 6tk7 by Molmil
Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in acidic conditions
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J.
登録日2019-11-28
公開日2020-05-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
6T68
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BU of 6t68 by Molmil
Crystal structure of Trypanosoma brucei Morn1
分子名称: CHLORIDE ION, MORN repeat-containing protein 1
著者Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
6T4R
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BU of 6t4r by Molmil
Crystal structure of Trypanosoma brucei Morn1
分子名称: MORN repeat-containing protein 1
著者Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
登録日2019-10-14
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
2VKM
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BU of 2vkm by Molmil
Crystal structure of GRL-8234 bound to BACE (Beta-secretase)
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Hong, L, Tang, J, Ghosh, A.K.
登録日2007-12-04
公開日2008-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
2HYY
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BU of 2hyy by Molmil
Human Abl kinase domain in complex with imatinib (STI571, Glivec)
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZ4
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BU of 2hz4 by Molmil
Abl kinase domain unligated and in complex with tetrahydrostaurosporine
分子名称: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
4CKU
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BU of 4cku by Molmil
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
分子名称: 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2
著者Tars, K, Leitans, J, Jaudzems, K.
登録日2014-01-08
公開日2014-06-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Acs Med.Chem.Lett., 5, 2014
2M2Q
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BU of 2m2q by Molmil
Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia
分子名称: Inhibitor cystine knot peptide MCh-1
著者He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N.
登録日2013-01-01
公開日2013-11-06
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013
2M2R
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BU of 2m2r by Molmil
Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia
分子名称: Inhibitor cystine knot peptide MCh-2
著者He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N.
登録日2013-01-01
公開日2013-11-06
最終更新日2024-11-27
実験手法SOLUTION NMR
主引用文献Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013
9FSE
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BU of 9fse by Molmil
Human ROR2 cysteine-rich domain (CRD) and Kringle domain
分子名称: SULFATE ION, Tyrosine-protein kinase transmembrane receptor ROR2
著者Griffiths, S.C, Tan, J, Wagner, A, Blazer, L.L, Adams, J.J, Srinivasan, S, Moghisaei, S, Sidhu, S.S, Siebold, C, Ho, H.H.
登録日2024-06-20
公開日2024-07-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure and function of the ROR2 cysteine-rich domain in vertebrate noncanonical WNT5A signaling.
Elife, 13, 2024
7Y7Y
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BU of 7y7y by Molmil
Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom
分子名称: (3R)-piperidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
登録日2022-06-22
公開日2023-04-26
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
7Y7W
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BU of 7y7w by Molmil
Cryo-EM structure of human GABA transporter GAT1 bound with GABA in NaCl solution in an inward-occluded state at 2.4 angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ...
著者Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
登録日2022-06-22
公開日2023-04-26
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
7Y7V
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Cryo-EM structure of human apo GABA transporter GAT1 in an inward-open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1
著者Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
登録日2022-06-22
公開日2023-04-26
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023

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