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5Z9R
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BU of 5z9r by Molmil
NMNAT as a specific chaperone antagonizing pathological condensation of phosphorylated tau
Descriptor: Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3
Authors:Dou, S, Ma, X, Li, D, Liu, C.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nicotinamide mononucleotide adenylyltransferase uses its NAD+substrate-binding site to chaperone phosphorylated Tau.
Elife, 9, 2020
5IE2
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BU of 5ie2 by Molmil
Crystal structure of a plant enzyme
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Fan, M.R, Li, M, Chang, W.R.
Deposit date:2016-02-24
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
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
5IE3
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BU of 5ie3 by Molmil
Crystal structure of a plant enzyme
Descriptor: ADENOSINE MONOPHOSPHATE, OXALIC ACID, Oxalate--CoA ligase
Authors:Fan, M.R, Li, M, Chang, W.R.
Deposit date:2016-02-24
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
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
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
2HFR
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BU of 2hfr by Molmil
solution structure of antimicrobial peptide Fowlicidin 3
Descriptor: Fowlicidin-3
Authors:Bommineni, Y.R, Dai, H, Gong, Y, Prakash, O, Zhang, G.
Deposit date:2006-06-26
Release date:2007-04-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Fowlicidin-3 is an alpha-helical cationic host defense peptide with potent antibacterial and lipopolysaccharide-neutralizing activities.
Febs J., 274, 2007
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
Descriptor: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
Deposit date:2021-11-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
4O16
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BU of 4o16 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: 1,2-ETHANEDIOL, 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium, 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 (1.783 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
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
4O18
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BU of 4o18 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
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 (1.92 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O17
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BU of 4o17 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
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 (1.82 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O28
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BU of 4o28 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-17
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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
4O1C
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BU of 4o1c by Molmil
The crystal structures of a mutant NAMPT H191R
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 (2.092 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O14
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BU of 4o14 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
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 (1.871 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O15
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BU of 4o15 by Molmil
The crystal structure of a mutant NAMPT (S165F) 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 (1.8 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
Descriptor: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
Descriptor: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
Authors:Song, X.M, Greene, M.I, Zhou, Z.C.
Deposit date:2012-11-21
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
2I1T
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BU of 2i1t by Molmil
Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
Descriptor: Jingzhaotoxin-3
Authors:Liao, Z, Peng, K, Liang, S.
Deposit date:2006-08-15
Release date:2006-08-29
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
To be Published
3WFN
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BU of 3wfn by Molmil
Crystal Structure of Nav1.6 IQ motif in complex with apo-CaM
Descriptor: Calmodulin, Sodium channel protein type 8 subunit alpha
Authors:Chichili, V.P.R, Sivaraman, J.
Deposit date:2013-07-23
Release date:2013-08-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for the Modulation of the Neuronal Voltage-Gated Sodium Channel NaV1.6 by Calmodulin
Sci Rep, 3, 2013

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数据于2024-06-26公开中

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