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7DYY
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Crystal structure of VIM-2 MBL in complex with 1-((2-aminobenzo[d]thiazol-6-yl)methyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, DI(HYDROXYETHYL)ETHER, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DYZ
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Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-4-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
2KYP
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Monomeric Human CKIT-2 proto-oncogene promoter quadruplex DNA NMR, 12 structures
分子名称: 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3'
著者Kuryavyi, V, Phan, A.T, Patel, D.J.
登録日2010-06-06
公開日2010-06-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of all parallel-stranded monomeric and dimeric G-quadruplex scaffolds of the human c-kit2 promoter.
Nucleic Acids Res., 38, 2010
4UAR
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BU of 4uar by Molmil
Crystal structure of apo-CbbY from Rhodobacter sphaeroides
分子名称: GLYCEROL, Protein CbbY
著者Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
登録日2014-08-11
公開日2014-12-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
7DZ1
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BU of 7dz1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
2KV3
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BU of 2kv3 by Molmil
Human Regenerating Gene Type IV (REG IV) PROTEIN, P91S mutant
分子名称: Regenerating islet-derived protein 4
著者Ho, M, Lou, Y, Chen, C.
登録日2010-03-04
公開日2010-08-18
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Human RegIV protein adopts a typical C-type lectin fold but binds mannan with two calcium-independent sites.
J.Mol.Biol., 402, 2010
4DO5
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BU of 4do5 by Molmil
Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 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Clark, N.E, Garman, S.C.
登録日2012-02-09
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
Proc.Natl.Acad.Sci.USA, 109, 2012
4UFK
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Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL
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, CALCIUM ION, ...
著者Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
登録日2015-03-17
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
7DZ0
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BU of 7dz0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.227 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
4UFH
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BU of 4ufh by Molmil
Mouse Galactocerebrosidase complexed with iso-galacto-fagomine IGF
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, CALCIUM ION, ...
著者Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
登録日2015-03-17
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
4MWX
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BU of 4mwx by Molmil
Shanghai N9-zanamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
登録日2013-09-25
公開日2013-11-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
7FDM
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BU of 7fdm by Molmil
Crystal structure of transcription factor MYB29 in complex with MYC3
分子名称: Transcription factor MYB29, Transcription factor MYC3
著者Luo, Q, Wang, B.
登録日2021-07-17
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
2ZNN
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BU of 2znn by Molmil
Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703
分子名称: (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha
著者Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K.
登録日2008-04-30
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
7F61
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Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746
分子名称: CHOLESTEROL, Histamine H3 receptor, N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide, ...
著者Peng, X, Zhang, H.
登録日2021-06-23
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for recognition of antihistamine drug by human histamine receptor.
Nat Commun, 13, 2022
3KPZ
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BU of 3kpz by Molmil
Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile
分子名称: (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol, Vitamin D3 receptor
著者Rochel, N, Moras, D.
登録日2009-11-17
公開日2011-10-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile.
Anticancer Res., 32, 2012
2A89
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Monomeric Sarcosine Oxidase: Structure of a covalently flavinylated amine oxidizing enzyme
分子名称: (N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE, CHLORIDE ION, Monomeric sarcosine oxidase, ...
著者Chen, Z.-W, Zhao, G, Martinovic, S, Jorns, M.S, Mathews, F.S.
登録日2005-07-07
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the sodium borohydride-reduced N-(cyclopropyl)glycine adduct of the flavoenzyme monomeric sarcosine oxidase.
Biochemistry, 44, 2005
2A8H
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BU of 2a8h by Molmil
Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor
分子名称: 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION
著者Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S.
登録日2005-07-08
公開日2006-02-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.
Bioorg.Med.Chem.Lett., 16, 2006
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
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, DI(HYDROXYETHYL)ETHER, ...
著者Zheng, P, Jin, J.
登録日2021-07-28
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
4MWJ
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BU of 4mwj by Molmil
Anhui N9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
登録日2013-09-25
公開日2013-11-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
2A9Z
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BU of 2a9z by Molmil
Crystal structure of T. gondii adenosine kinase complexed with N6-dimethyladenosine and AMP-PCP
分子名称: 6N-DIMETHYLADENOSINE, CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Zhang, Y, el Kouni, M.H, Ealick, S.E.
登録日2005-07-12
公開日2006-07-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase
Acta Crystallogr.,Sect.D, 63, 2007
7FB9
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BU of 7fb9 by Molmil
Crystal Structure of Human Cu, Zn Superoxide Dismutase (SOD1)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Baek, Y, Ha, N.-C.
登録日2021-07-08
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analysis of the overoxidized Cu/Zn-superoxide dismutase in ROS-induced ALS filament formation.
Commun Biol, 5, 2022
4MWW
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Shanghai N9-oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
登録日2013-09-25
公開日2013-11-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4UFL
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BU of 4ufl by Molmil
Mouse Galactocerebrosidase complexed with deoxy-galacto-noeurostegine DGN
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, CALCIUM ION, ...
著者Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
登録日2015-03-17
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
7FD2
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Cryo-EM structure of an alphavirus, Getah virus
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Liu, Z, Liu, C, Wang, A.
登録日2021-07-15
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 2022
1XV9
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crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione.
分子名称: (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ...
著者Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T.
登録日2004-10-27
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004

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