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4O1A
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BU of 4o1a by Molmil
The crystal structure of the mutant NAMPT G217R
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1B
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BU of 4o1b by Molmil
The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1D
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BU of 4o1d by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4JIA
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BU of 4jia by Molmil
JAK2 kinase (JH1 domain) in complex with compound 9
Descriptor: 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-05
Release date:2013-08-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4O19
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BU of 4o19 by Molmil
The crystal structure of a mutant NAMPT (G217V)
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O13
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BU of 4o13 by Molmil
The crystal structure of NAMPT in complex with GNE-618
Descriptor: 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4ZXO
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BU of 4zxo by Molmil
The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A.
Descriptor: Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION
Authors:Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H.
Deposit date:2015-05-20
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE.
J. Biol. Chem., 292, 2017
5IE0
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BU of 5ie0 by Molmil
Crystal structure of a plant enzyme
Descriptor: Oxalate--CoA ligase, S,R MESO-TARTARIC ACID
Authors:Ran, M.R, Li, M, Chang, W.R.
Deposit date:2016-02-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
4ZUA
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BU of 4zua by Molmil
Crystal structure of the ExsA regulatory domain
Descriptor: Exoenzyme S synthesis regulatory protein ExsA
Authors:Schubot, F.D.
Deposit date:2015-05-15
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa.
Plos One, 10, 2015
4EBQ
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BU of 4ebq by Molmil
Fab structure of anti-Vaccinia virus D8L antigen mouse IgG2a LA5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-03-23
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
2P6W
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BU of 2p6w by Molmil
Crystal structure of a glycosyltransferase involved in the glycosylation of the major capsid of PBCV-1
Descriptor: CITRATE ANION, MANGANESE (II) ION, Putative glycosyltransferase (Mannosyltransferase) involved in glycosylating the PBCV-1 major capsid protein
Authors:Zhang, Y, Ye, X, Van Etten, J.L, Rossmann, M.G.
Deposit date:2007-03-19
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and function of a chlorella virus-encoded glycosyltransferase.
Structure, 15, 2007
4ETQ
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BU of 4etq by Molmil
Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-04-24
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
7VOA
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BU of 7voa by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with aRBD5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpaca nanobody
Authors:Ma, H, Zeng, W.H, Jin, T.C.
Deposit date:2021-10-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
4E9O
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BU of 4e9o by Molmil
Vaccinia D8L ectodomain structure
Descriptor: IMV membrane protein, IODIDE ION
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-03-21
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
4GQ9
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BU of 4gq9 by Molmil
Chikungunya virus neutralizing antibody 9.8B Fab fragment
Descriptor: Chikungunya virus neutralizing antibody 9.8B Fab fragment heavy chain, Chikungunya virus neutralizing antibody 9.8B Fab fragment light chain
Authors:Sun, S, Rossmann, M.G.
Deposit date:2012-08-22
Release date:2013-07-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization.
Elife, 2, 2013
5USH
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BU of 5ush by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv66
Descriptor: Fab vv66 heavy chain, Fab vv66 light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
5VKC
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BU of 5vkc by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Descriptor: 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Judge, R.A, Souers, A.J.
Deposit date:2017-04-21
Release date:2017-05-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
5USL
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BU of 5usl by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv304
Descriptor: Fab vv304 Heavy chain, Fab vv304 Light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
5XKU
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BU of 5xku by Molmil
Crystal structure of hemagglutinin globular head from an H7N9 influenza virus in complex with a neutralizing antibody HNIgGA6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HNIgGA6 heavy chain, HNIgGA6 light chain, ...
Authors:Chen, C, Wang, J, Wang, W, Gao, X, Cui, S, Jin, Q.
Deposit date:2017-05-09
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insight into a Human Neutralizing Antibody against Influenza Virus H7N9
J. Virol., 92, 2018
7VS4
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BU of 7vs4 by Molmil
Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex
Descriptor: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
Authors:Zhu, J, Gao, P.
Deposit date:2021-10-25
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
7VRU
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BU of 7vru by Molmil
Crystal structure of PacII_M1M2S-DNA-SAH complex
Descriptor: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
Authors:Zhu, J, Gao, P.
Deposit date:2021-10-25
Release date:2022-11-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
2GDL
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BU of 2gdl by Molmil
Fowlicidin-2: NMR structure of antimicrobial peptide
Descriptor: myeloid antimicrobial peptide 27
Authors:Herrera, A.I, Prakash, O, Zhang, G.
Deposit date:2006-03-16
Release date:2007-03-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Central Kink Region of alpha-Helical Fowlicidin-2 is Critically Involved in Antibacterial and Lipopolysaccharide-Neutralizing Activities
To be Published
6ACG
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BU of 6acg by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound conformation 1
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
6ACJ
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BU of 6acj by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound conformation 2
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
8CYI
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BU of 8cyi by Molmil
Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ...
Authors:Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q.
Deposit date:2022-05-23
Release date:2023-04-12
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency.
Commun Biol, 5, 2022

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数据于2024-06-19公开中

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