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5IT6
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BU of 5it6 by Molmil
Galectin-related protein: an integral member of the network of chicken galectins
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galectin-related protein, ...
著者Flores-Ibarra, A, Garcia-Caballero, G, Michalak, M, Bovin, N.V, Andre, S, Manning, J.C, Vertesy, S, Ruiz, F.M, Kaltner, H, Kopitz, J, Romero, A, Gabius, H.-J.
登録日2016-03-16
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献Galectin-related protein: An integral member of the network of chicken galectins 1. From strong sequence conservation of the gene confined to vertebrates to biochemical characteristics of the chicken protein and its crystal structure.
Biochim.Biophys.Acta, 1860, 2016
6WP5
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BU of 6wp5 by Molmil
Pyruvate Kinase M2 mutant-S37D
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
著者Nandi, S, Razzaghi, M, Srivastava, D, Dey, M.
登録日2020-04-26
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation.
J.Biol.Chem., 295, 2020
9CMQ
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BU of 9cmq by Molmil
Horse liver alcohol dehydrogenase V203A in complex with NADH and N-cylcohexyl formamide
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
著者Mukherjee, S, Boxer, S.G.
登録日2024-07-15
公開日2025-07-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Role of Electrostatics in Hydride Transfer by Horse liver alcohol dehydrogenase
To Be Published
8IO2
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BU of 8io2 by Molmil
The Rubisco assembly intermidate of Arabidopsis thaliana Rubisco accumulation factor 1 (AtRaf1) and Rubisco large subunit (RbcL)
分子名称: Ribulose bisphosphate carboxylase large chain, Rubisco accumulation factor 1.2, chloroplastic
著者Wang, R, Song, H, Zhang, W, Wang, N, Zhang, S, Shao, R.
登録日2023-03-10
公開日2023-11-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the functions of Raf1 and Bsd2 in hexadecameric Rubisco assembly.
Mol Plant, 16, 2023
4XBN
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BU of 4xbn by Molmil
Crystal Structure of Human Galectin-3 CRD in Complex with Type 1 N-acetyllactosamine
分子名称: Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Hsieh, T.J, Lin, H.Y, Lin, C.H.
登録日2014-12-17
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4XBQ
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BU of 4xbq by Molmil
Crystal Structure of Human Galectin-7 in Complex with Type 1 N-acetyllactosamine
分子名称: Galectin-7, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Hsieh, T.J, Lin, H.Y, Lin, C.H.
登録日2014-12-17
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.234 Å)
主引用文献Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
8RNT
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BU of 8rnt by Molmil
STRUCTURE OF RIBONUCLEASE T1 COMPLEXED WITH ZINC(II) AT 1.8 ANGSTROMS RESOLUTION: A ZN2+.6H2O.CARBOXYLATE CLATHRATE
分子名称: RIBONUCLEASE T1, ZINC ION
著者Ding, J, Choe, H.-W, Granzin, J, Saenger, W.
登録日1991-09-23
公開日1993-01-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of ribonuclease T1 complexed with zinc(II) at 1.8 A resolution: a Zn2+.6H2O.carboxylate clathrate.
Acta Crystallogr.,Sect.B, 48, 1992
6HTU
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BU of 6htu by Molmil
Structure of hStau1 dsRBD3-4 in complex with ARF1 RNA
分子名称: Double-stranded RNA-binding protein Staufen homolog 1, RNA (19-MER)
著者Emmerich, C, Lazzaretti, D, Bandholz-Cajamarca, L, Bono, F.
登録日2018-10-04
公開日2018-11-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.888 Å)
主引用文献The crystal structure of Staufen1 in complex with a physiological RNA sheds light on substrate selectivity.
Life Sci Alliance, 1, 2018
7BMP
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BU of 7bmp by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer and cryo protectant).
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
9CQK
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BU of 9cqk by Molmil
Horse liver alcohol dehydrogenase F93W in complex with NADH and N-cylcohexyl formamide
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, CYCLOHEXYLFORMAMIDE, ...
著者Mukherjee, S, Boxer, S.G.
登録日2024-07-19
公開日2025-07-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Role of Electrostatics in Hydride Transfer by Horse liver alcohol dehydrogenase
To Be Published
8TUK
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BU of 8tuk by Molmil
Alvinella ASCC1 KH and Phosphodiesterase/Ligase Domain
分子名称: 1,2-ETHANEDIOL, Activating signal cointegrator 1 complex subunit 1, IMIDAZOLE
著者Tsutakawa, S.E, Tainer, J.A, Arvai, A.S, Chinnam, N.B.
登録日2023-08-16
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献ASCC1 structures and bioinformatics reveal a novel helix-clasp-helix RNA-binding motif linked to a two-histidine phosphodiesterase.
J.Biol.Chem., 300, 2024
4XST
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BU of 4xst by Molmil
Structure of the endoglycosidase-H treated L1-CR domains of the human insulin receptor in complex with residues 697-719 of the human insulin receptor (A-isoform)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, SULFATE ION, ...
著者Menting, J.G, Lawrence, C.F, Kong, G.K.-W, Lawrence, M.C.
登録日2015-01-22
公開日2015-06-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors.
Structure, 23, 2015
9EIH
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BU of 9eih by Molmil
Import stalled PINK1 TOM complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM20 homolog, Mitochondrial import receptor subunit TOM22 homolog, ...
著者Kirk, N.S, Glukhova, A, Callegari, S, Komander, D.
登録日2024-11-26
公開日2025-03-12
最終更新日2025-04-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of human PINK1 at a mitochondrial TOM-VDAC array.
Science, 388, 2025
4XUQ
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BU of 4xuq by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
著者Sainz-Polo, M.A, Sanz-Aparicio, J.
登録日2015-01-26
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
6ZDJ
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BU of 6zdj by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,10)
分子名称: Gag protein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-06-14
公開日2020-08-19
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6FMU
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BU of 6fmu by Molmil
Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol
分子名称: 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ...
著者Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F.
登録日2018-02-02
公開日2018-06-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
6R3S
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BU of 6r3s by Molmil
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
分子名称: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
著者Boettcher, J.
登録日2019-03-21
公開日2020-04-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
8R10
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BU of 8r10 by Molmil
Pim1 in complex with 4-(4-hydroxystyryl)benzoic acid and Pimtide
分子名称: (Z)-4-(4-hydroxystyryl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2023-11-01
公開日2024-03-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors.
Arch Pharm, 357, 2024
8EO1
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BU of 8eo1 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (reverse strand)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-10-01
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
7BMT
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BU of 7bmt by Molmil
HEWL in sodium chloride
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
8W8B
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BU of 8w8b by Molmil
Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8TVT
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BU of 8tvt by Molmil
Structure of human Cysteine desulfurase Nfs1 with L-propargylglycine bound to active site PLP in complex with ISD11, Acp1 and ISCU2
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ...
著者Cygler, M, Boniecki, M.T.
登録日2023-08-18
公開日2024-09-11
最終更新日2025-08-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D-cysteine impairs tumour growth by inhibiting cysteine desulfurase NFS1.
Nat Metab, 2025
6ZEX
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BU of 6zex by Molmil
Keap1 kelch domain bound to a small molecule fragment
分子名称: 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF0
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Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF1
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Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021

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