Author results

2MXU
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42-RESIDUE BETA AMYLOID FIBRIL
Descriptor:Amyloid beta A4 protein
Authors:Xiao, Y., Ma, B., McElheny, D., Parthasarathy, S., Long, F., Hoshi, M., Nussinov, R., Ishii, Y.
Deposit date:2015-01-14
Release date:2015-05-06
Last modified:2015-06-17
Method:SOLID-STATE NMR
Cite:A beta (1-42) fibril structure illuminates self-recognition and replication of amyloid in Alzheimer's disease.
Nat.Struct.Mol.Biol., 22, 2015
6A5A
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CRYSTAL STRUCTURE OF PLANT RECEPTOR-LIKE KINASE ANX1
Descriptor:Receptor-like protein kinase ANXUR1
Authors:Xiao, Y., Chai, J.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.942 Å)
Cite:Mechanisms of RALF peptide perception by a heterotypic receptor complex.
Nature, 572, 2019
6A5B
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CRYSTAL STRUCTURE OF PLANT RECEPTOR-LIKE KINASE FER
Descriptor:Receptor-like protein kinase FERONIA
Authors:Xiao, Y., Chai, J.
Deposit date:2018-06-23
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Mechanisms of RALF peptide perception by a heterotypic receptor complex.
Nature, 572, 2019
6A5C
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CRYSTAL STRUCTURE OF PLANT RECEPTOR-LIKE KINASE ANX2
Descriptor:Receptor-like protein kinase ANXUR2
Authors:Xiao, Y., Chai, J.
Deposit date:2018-06-23
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mechanisms of RALF peptide perception by a heterotypic receptor complex.
Nature, 572, 2019
6A5D
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CRYSTAL STRUCTURE OF PLANT GLYCOSYLPHOSPHATIDYLINOSITOL-ANCHORED PROTEIN LLG1
Descriptor:GPI-anchored protein LLG1, alpha-L-fucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Xiao, Y., Chai, J.
Deposit date:2018-06-23
Release date:2019-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Mechanisms of RALF peptide perception by a heterotypic receptor complex.
Nature, 572, 2019
6A5E
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CRYSTAL STRUCTURE OF PLANT PEPTIDE RALF23 IN COMPLEX WITH FER AND LLG2
Descriptor:Receptor-like protein kinase FERONIA, GPI-anchored protein LLG2, RALF23, ...
Authors:Xiao, Y., Chai, J.
Deposit date:2018-06-23
Release date:2019-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.766 Å)
Cite:Mechanisms of RALF peptide perception by a heterotypic receptor complex.
Nature, 572, 2019
2AMN
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SOLUTION STRUCTURE OF FOWLICIDIN-1, A NOVEL CATHELICIDIN ANTIMICROBIAL PEPTIDE FROM CHICKEN
Descriptor:cathelicidin
Authors:Xiao, Y., Dai, H., Bommineni, Y.R., Prakash, O., Zhang, G.
Deposit date:2005-08-09
Release date:2006-07-18
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
3UB0
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CRYSTAL STRUCTURE OF THE NONSTRUCTURAL PROTEIN 7 AND 8 COMPLEX OF FELINE CORONAVIRUS
Descriptor:Non-structural protein 6, nsp6,, Non-structural protein 7, ...
Authors:Xiao, Y., Hilgenfeld, R., Ma, Q.
Deposit date:2011-10-22
Release date:2012-02-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012
5U07
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CRISPR RNA-GUIDED SURVEILLANCE COMPLEX
Descriptor:CRISPR-associated protein, Cse3 family, Cse2, ...
Authors:Xiao, Y., Luo, M., Hayes, R.P., Kim, J., Ng, S., Ding, F., Liao, M., Ke, A.
Deposit date:2016-11-23
Release date:2017-08-09
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
5U0A
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CRISPR RNA-GUIDED SURVEILLANCE COMPLEX
Descriptor:CRISPR-associated protein, Cse3 family, Cse1 family, ...
Authors:Xiao, Y., Luo, M., Hayes, R.P., Kim, J., Ng, S., Ding, F., Liao, M., Ke, A.
Deposit date:2016-11-23
Release date:2017-08-09
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
5XVN
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E. FAR CAS1-CAS2/PRESPACER BINARY COMPLEX
Descriptor:CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Xiao, Y., Ng, S., Nam, K.H., Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XVO
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E. FAE CAS1-CAS2/PRESPACER/TARGET TERNARY COMPLEX REVEALING DNA SAMPLING AND HALF-INTEGRATION STATES
Descriptor:CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Xiao, Y., Ng, S., Nam, K.H., Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XVP
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E. FAE CAS1-CAS2/PRESPACER/TARGET TERNARY COMPLEX REVEALING THE FULLY INTEGRATED STATES
Descriptor:CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (73-MER), ...
Authors:Xiao, Y., Ng, S., Nam, K.H., Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
6C66
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CRISPR RNA-GUIDED SURVEILLANCE COMPLEX, PRE-NICKING
Descriptor:CRISPR-associated helicase, Cas3 family, CRISPR-associated protein, ...
Authors:Xiao, Y., Luo, M., Liao, M., Ke, A.
Deposit date:2018-01-17
Release date:2018-06-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structure basis for RNA-guided DNA degradation by Cascade and Cas3.
Science, 361, 2018
4LV9
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FRAGMENT-BASED IDENTIFICATION OF AMIDES DERIVED FROM TRANS-2-(PYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, PHOSPHATE ION, ...
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVA
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FRAGMENT-BASED IDENTIFICATION OF AMIDES DERIVED FROM TRANS-2-(PYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, PHOSPHATE ION, ...
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVB
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FRAGMENT-BASED IDENTIFICATION OF AMIDES DERIVED FROM TRANS-2-(PYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, PHOSPHATE ION, ...
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVD
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FRAGMENT-BASED IDENTIFICATION OF AMIDES DERIVED FROM TRANS-2-(PYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, N-(4-nitrophenyl)cyclopropanecarboxamide, ...
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVF
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FRAGMENT-BASED IDENTIFICATION OF AMIDES DERIVED FROM TRANS-2-(PYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, PHOSPHATE ION, ...
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVG
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FRAGMENT-BASED IDENTIFICATION OF AMIDES DERIVED FROM TRANS-2-(PYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, PHOSPHATE ION, ...
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4M6P
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IDENTIFICATION OF AMIDES DERIVED FROM 1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, PHOSPHATE ION
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4M6Q
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IDENTIFICATION OF AMIDES DERIVED FROM 1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Giannetti, A.M., Zheng, X., Skelton, N., Wang, W., Bravo, B., Feng, Y., Gunzner-Toste, J., Ho, Y., Hua, R., Wang, C., Zhao, Q., Liederer, B.M., Liu, Y., O'Brien, T., Oeh, J., Sampath, D., Shen, Y., Wang, L., Wu, H., Xiao, Y., Yuen, P., Zak, M., Zhao, G., Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
6LUM
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STRUCTURE OF MYCOBACTERIUM SMEGMATIS SUCCINATE DEHYDROGENASE 2
Descriptor:Succinate dehydrogenase subunit C, Succinate dehydrogenase subunit D, Succinate dehydrogenase subunit F, ...
Authors:Gao, Y., Gong, H., Zhou, X., Xiao, Y., Wang, W., Ji, W., Wang, Q., Rao, Z.
Deposit date:2020-01-29
Release date:2020-05-27
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF.
Nat Commun, 11, 2020
4N9B
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FRAGMENT-BASED DESIGN OF 3-AMINOPYRIDINE-DERIVED AMIDES AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
Authors:Dragovich, P.S., Zhao, G., Baumeister, T., Bravo, B., Giannetti, A.M., Ho, Y., Hua, R., Li, G., Liang, X., O'Brien, T., Skelton, N.J., Wang, C., Zhai, Q., Oh, A., Wang, W., Wang, Y., Xiao, Y., Yuen, P., Zak, M., Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.859 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9C
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FRAGMENT-BASED DESIGN OF 3-AMINOPYRIDINE-DERIVED AMIDES AS POTENT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT)
Descriptor:Nicotinamide phosphoribosyltransferase, 5-nitro-1H-benzimidazole, PHOSPHATE ION
Authors:Dragovich, P.S., Zhao, G., Baumeister, T., Bravo, B., Giannetti, A.M., Ho, Y., Hua, R., Li, G., Liang, X., O'Brien, T., Skelton, N.J., Wang, C., Zhao, Q., Oh, A., Wang, W., Wang, Y., Xiao, Y., Yuen, P., Zak, M., Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
170172
PDB entries from 2020-10-21