Author results

6BTA
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CYPA MUTANT - S99T C115S
Descriptor:Peptidyl-prolyl cis-trans isomerase A
Authors:Fraser, J.S., Kenner, L.R., Liu, L.
Deposit date:2017-12-06
Release date:2018-04-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
6IYA
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STRUCTURE OF THE DNA BINDING DOMAIN OF ANTITOXIN COPASO
Descriptor:Transcriptional regulator CopG family
Authors:Zhao, R., Li, F., Liu, L., Zhang, X.
Deposit date:2018-12-14
Release date:2019-01-16
Last modified:2019-08-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and allosteric coupling of type II antitoxin CopASO.
Biochem.Biophys.Res.Commun., 514, 2019
6L8D
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HEXAMERIC STRUCTURE OF THE ATPASE SUBUNIT OF MAGNESIUM CHELATASE
Descriptor:Magnesium-chelatase subunit ChlI
Authors:Gao, Y., Liu, L.
Deposit date:2019-11-05
Release date:2020-01-15
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Hexameric structure of the ATPase motor subunit of magnesium chelatase in chlorophyll biosynthesis.
Protein Sci., 2019
6MCT
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A DESIGNED PENTAMERIC MEMBRANE PROTEIN STABILIZED BY VAN DER WAALS INTERACTION
Descriptor:mini-eVgL membrane protein, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION
Authors:Mravic, M., Liu, L., Degrado, W.F.
Deposit date:2018-09-02
Release date:2019-04-03
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MPW
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DE NOVO DESIGN OF MEMBRANE PROTEIN--MINI-EVGL MEMBRANE PROTEIN, C2221 FORM-1
Descriptor:mini-eVgL membrane protein, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
Authors:Mravic, M., Liu, L., DeGrado, W.F.
Deposit date:2018-10-08
Release date:2019-04-03
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MQ2
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DE NOVO DESIGN OF MEMBRANE PROTEIN--MINI-EVGL MEMBRANE PROTEIN, C2221 FORM-2
Descriptor:mini-eVgL membrane protein, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
Authors:Mravic, M., Liu, L., Degrado, W.F.
Deposit date:2018-10-09
Release date:2019-04-03
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6NV1
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STRUCTURE OF DRUG-RESISTANT V27A MUTANT OF THE INFLUENZA M2 PROTON CHANNEL BOUND TO SPIROADAMANTYL AMINE INHIBITOR
Descriptor:Matrix protein 2, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, ...
Authors:Thomaston, J.L., Liu, L., DeGrado, W.F.
Deposit date:2019-02-04
Release date:2020-01-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystal structures of the influenza M2 proton channel drug-resistant V27A mutant bound to a spiro-adamantyl amine inhibitor reveal the mechanism of adamantane resistance.
Biochemistry, 2020
6OUG
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STRUCTURE OF DRUG-RESISTANT V27A MUTANT OF THE INFLUENZA M2 PROTON CHANNEL BOUND TO SPIROADAMANTYL AMINE INHIBITOR, TM + CYTOSOLIC HELIX CONSTRUCT
Descriptor:Matrix protein 2, (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine
Authors:Thomaston, J.L., Liu, L., DeGrado, W.F.
Deposit date:2019-05-04
Release date:2020-01-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:X-ray crystal structures of the influenza M2 proton channel drug-resistant V27A mutant bound to a spiro-adamantyl amine inhibitor reveal the mechanism of adamantane resistance.
Biochemistry, 2020
1JFL
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CRYSTAL STRUCTURE DETERMINATION OF ASPARTATE RACEMASE FROM AN ARCHAEA
Descriptor:ASPARTATE RACEMASE
Authors:Liu, L.J., Iwata, K., Kita, A., Kawarabayasi, Y., Yohda, M., Miki, K.
Deposit date:2001-06-21
Release date:2002-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of aspartate racemase from Pyrococcus horikoshii OT3 and its implications for molecular mechanism of PLP-independent racemization.
J.Mol.Biol., 319, 2002
3DKE
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POLAR AND NON-POLAR CAVITIES IN PHAGE T4 LYSOZYME
Descriptor:Lysozyme, POTASSIUM ION, CHLORIDE ION, ...
Authors:Liu, L.J., Matthews, B.W.
Deposit date:2008-06-24
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Use of experimental crystallographic phases to examine the hydration of polar and nonpolar cavities in T4 lysozyme
Proc.Natl.Acad.Sci.USA, 105, 2008
3KPH
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CRYSTAL STRUCTURE OF MYCOPLASMA ARTHRITIDIS-DERIVED MITOGEN
Descriptor:Superantigen, PHOSPHATE ION
Authors:Liu, L.H., Li, H.M.
Deposit date:2009-11-16
Release date:2010-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Mycoplasma arthritidis-Derived Mitogen in Apo Form Reveals a 3D Domain-Swapped Dimer.
J.Mol.Biol., 399, 2010
4MO7
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CRYSTAL STRUCTURE OF SUPERANTIGEN PFIT
Descriptor:Transcriptional regulator I2, MAGNESIUM ION, BETA-MERCAPTOETHANOL
Authors:Liu, L.H., Chen, H., Li, H.M.
Deposit date:2013-09-11
Release date:2014-02-05
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
4MXM
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CRYSTAL STRUCTURE OF SUPERANTIGEN PFIT
Descriptor:Transcriptional regulator I2
Authors:Liu, L.H., Chen, H., Li, H.M.
Deposit date:2013-09-26
Release date:2014-09-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
5FD2
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B-RAF WILD-TYPE KINASE DOMAIN IN COMPLEX WITH A PURINYLPYRIDINYLAMINO-BASED INHIBITOR
Descriptor:Serine/threonine-protein kinase B-raf, 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine
Authors:Whittington, D.A., Epstein, L.F.
Deposit date:2015-12-15
Release date:2016-05-04
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
6J6M
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CO-CRYSTAL STRUCTURE OF BTK KINASE DOMAIN WITH ZANUBRUTINIB
Descriptor:Tyrosine-protein kinase BTK, (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE
Authors:Zhou, X., Hong, Y.
Deposit date:2019-01-15
Release date:2019-10-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
4NOJ
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CRYSTAL STRUCTURE OF THE MATURE FORM OF ASPARAGINYL ENDOPEPTIDASE (AEP)/LEGUMAIN ACTIVATED AT PH 3.5
Descriptor:Legumain
Authors:Zhao, L., Hua, T., Ru, H., Ni, X., Shaw, N., Jiao, L., Ding, W., Qu, L., Ouyang, S., Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
4NOK
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CRYSTAL STRUCTURE OF PROENZYME ASPARAGINYL ENDOPEPTIDASE (AEP)/LEGUMAIN AT PH 7.5
Descriptor:Legumain
Authors:Zhao, L., Hua, T., Ru, H., Ni, X., Shaw, N., Jiao, L., Ding, W., Qu, L., Ouyang, S., Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
4NOL
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CRYSTAL STRUCTURE OF PROENZYME ASPARAGINYL ENDOPEPTIDASE (AEP)/LEGUMAIN MUTANT D233A AT PH 7.5
Descriptor:Legumain
Authors:Zhao, L., Hua, T., Ru, H., Ni, X., Shaw, N., Jiao, L., Ding, W., Qu, L., Ouyang, S., Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
4NOM
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CRYSTAL STRUCTURE OF ASPARAGINYL ENDOPEPTIDASE (AEP)/LEGUMAIN ACTIVATED AT PH 4.5
Descriptor:Legumain
Authors:Zhao, L., Hua, T., Ru, H., Ni, X., Shaw, N., Jiao, L., Ding, W., Qu, L., Ouyang, S., Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
5H19
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EED IN COMPLEX WITH PRC2 ALLOSTERIC INHIBITOR EED162
Descriptor:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
Authors:Zhao, K., Zhao, M., Luo, X., Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5ZAS
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CRYSTAL STRUCTURE OF 5-FORMYLCYTOSINE CONTAINING DECAMER DSDNA
Descriptor:DNA (5'-D(*CP*CP*AP*GP*(5FC)P*GP*CP*TP*GP*G)-3'), BICARBONATE ION
Authors:Fu, T.R., Zhang, L.
Deposit date:2018-02-08
Release date:2019-02-13
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
5ZAT
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CRYSTAL STRUCTURE OF 5-CARBOXYLCYTOSINE CONTAINING DECAMER DSDNA
Descriptor:DNA (5'-D(*CP*CP*AP*GP*(CAC)P*GP*CP*TP*GP*G)-3')
Authors:Fu, T.R., Zhang, L.
Deposit date:2018-02-08
Release date:2019-02-13
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6JV3
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CRYSTAL STRUCTURE OF 5-HYDOXYLMETHYLCYTOSINE CONTAINING DECAMER DSDNA
Descriptor:DNA (5'-D(*CP*CP*AP*GP*(5HC)P*GP*CP*TP*GP*G)-3')
Authors:Zhang, L., Wang, Y.X.
Deposit date:2019-04-15
Release date:2019-07-31
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6JV5
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CRYSTAL STRUCTURE OF 5-METHYLCYTOSINE CONTAINING DECAMER DSDNA
Descriptor:DNA (5'-D(*CP*CP*AP*GP*(5CM)P*GP*CP*TP*GP*G)-3')
Authors:Zhang, L., Wang, Y.X.
Deposit date:2019-04-15
Release date:2019-07-31
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
1JMF
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CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor:THYMIDYLATE SYNTHASE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Finer-Moore, J., Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998