Author results

5HV3
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RIFAMPIN PHOSPHOTRANSFERASE G527Y MUTANT IN COMPLEX WITH AMPPNP FROM LISTERIA MONOCYTOGENES
Descriptor:Phosphoenolpyruvate synthase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION
Authors:Zhang, P., Qi, X.
Deposit date:2016-01-28
Release date:2016-03-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3.118 Å)
Cite:Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5HV6
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THE ATP BINDING DOMAIN OF RIFAMPIN PHOSPHOTRANSFERASE FROM LISTERIA MONOCYTOGENES
Descriptor:Phosphoenolpyruvate synthase
Authors:Zhang, P., Qi, X.
Deposit date:2016-01-28
Release date:2016-03-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5JD0
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CRYSTAL STRUCTURE OF ARAP3 RHOGAP DOMAIN
Descriptor:Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
Authors:Bao, H., Li, F., Wu, J., Shi, Y.
Deposit date:2016-04-15
Release date:2016-06-22
Last modified:2016-08-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3
J.Biol.Chem., 291, 2016
5XSD
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XYLFII-LYTSN COMPLEX MUTANT - D103A
Descriptor:Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS
Authors:Li, J.X., Wang, C.Y., Zhang, P.
Deposit date:2017-06-13
Release date:2017-08-02
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XSJ
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XYLFII-LYTSN COMPLEX
Descriptor:Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS, ...
Authors:Li, J.X., Wang, C.Y., Zhang, P.
Deposit date:2017-06-14
Release date:2017-08-02
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XSS
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XYLFII MOLECULE
Descriptor:Periplasmic binding protein/LacI transcriptional regulator, BETA-D-XYLOPYRANOSE
Authors:Li, J.X., Wang, C.Y., Zhang, P.
Deposit date:2017-06-15
Release date:2017-08-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6IF2
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COMPLEX STRUCTURE OF RAB35 AND ITS EFFECTOR RUSC2
Descriptor:Ras-related protein Rab-35, Iporin, MAGNESIUM ION, ...
Authors:Lin, L., Zhu, J., Zhang, R.
Deposit date:2018-09-18
Release date:2019-04-03
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rab35/ACAP2 and Rab35/RUSC2 Complex Structures Reveal Molecular Basis for Effector Recognition by Rab35 GTPase.
Structure, 27, 2019
6IF3
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COMPLEX STRUCTURE OF RAB35 AND ITS EFFECTOR ACAP2
Descriptor:Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 2, Ras-related protein Rab-35, ...
Authors:Lin, L., Zhu, J., Zhang, R.
Deposit date:2018-09-18
Release date:2019-04-03
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rab35/ACAP2 and Rab35/RUSC2 Complex Structures Reveal Molecular Basis for Effector Recognition by Rab35 GTPase.
Structure, 27, 2019
6MNL
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NMR SOLUTION STRUCTURES OF SECOND BROMODOMAIN OF BRD4 WITH FOXO3A PEPTIDE
Descriptor:FOXO3a peptide, Bromodomain-containing protein 4
Authors:Zeng, L., Zhou, M.-M.
Deposit date:2018-10-02
Release date:2018-10-31
Last modified:2018-12-19
Method:SOLUTION NMR
Cite:Targeting the BRD4/FOXO3a/CDK6 axis sensitizes AKT inhibition in luminal breast cancer.
Nat Commun, 9, 2018
4I0R
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE COMPLEXED WITH 2-(3,4,5-TRIMETHOXY-PHENYL)-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXYLIC ACID ISOPROPYLAMIDE
Descriptor:Tyrosine-protein kinase SYK, N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Authors:Kuglstatter, A., Villasenor, A.G.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0S
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE COMPLEXED WITH 2-(6-CHLORO-1-METHYL-1H-INDAZOL-3-YL)-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXYLIC ACID ISOPROPYLAMIDE
Descriptor:Tyrosine-protein kinase SYK, 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Authors:Kuglstatter, A., Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0T
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE COMPLEXED WITH 2-(5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRIDIN-1-YL)-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXYLIC ACID TERT-BUTYLAMIDE
Descriptor:Tyrosine-protein kinase SYK, N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Authors:Kuglstatter, A., Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
5J3F
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NMR SOLUTION STRUCTURE OF [RP, RP]-PT DSDNA
Descriptor:DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3')
Authors:Lan, W., Hu, Z., Cao, C.
Deposit date:2016-03-30
Release date:2016-11-16
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
5J3G
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SOLUTION NMR STRUCTURE OF PT-FREE DSDNA FROM STREPTOMYCES LIVIDANS
Descriptor:DNA (5'-D(*CP*GP*GP*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*GP*CP*CP*G)-3')
Authors:Lan, W., Cao, C.
Deposit date:2016-03-30
Release date:2016-06-22
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
5J3I
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NMR SOLUTION STRUCTURE OF [SP, SP]-PT DSDNA
Descriptor:DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3')
Authors:Lan, W., Hu, Z., Cao, C.
Deposit date:2016-03-30
Release date:2016-11-16
Method:SOLUTION NMR
Cite:Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
5T18
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CRYSTAL STRUCTURE OF BRUTON AGAMMABULINEMIA TYROSINE KINASE COMPLEXED WITH BMS-986142 AKA (2S)-6-FLUORO-5-[3-(8-FLUORO-1-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLIN-3-YL)-2-METHYLPHENYL]-2-(2-HYDROXYPROPAN-2-YL)-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-8-CARBOXAMIDE
Descriptor:Tyrosine-protein kinase BTK, 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2016-08-18
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
5Y1Y
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COMPLEX STRUCTURE OF NITROXOLINE WITH THE FIRST BROMODOMAIN OF BRD4
Descriptor:Bromodomain-containing protein 4, 5-nitroquinolin-8-ol
Authors:Jiang, H., Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
2H5E
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CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE RELEASE FACTOR RF3
Descriptor:Peptide chain release factor RF-3, GUANOSINE-5'-DIPHOSPHATE
Authors:Song, H.W., Zhou, Z.H.
Deposit date:2006-05-26
Release date:2007-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:RF3 induces ribosomal conformational changes responsible for dissociation of class I release factors
Cell(Cambridge,Mass.), 129, 2007
2HJD
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CRYSTAL STRUCTURE OF A SECOND QUORUM SENSING ANTIACTIVATOR TRAM2 FROM A. TUMEFACIENS STRAIN A6
Descriptor:Quorum-sensing antiactivator
Authors:Chen, L.
Deposit date:2006-06-30
Release date:2006-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure and Mechanism of TraM2, a Second Quorum-Sensing Antiactivator of Agrobacterium tumefaciens Strain A6.
J.Bacteriol., 188, 2006
2LMZ
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SOLUTION NMR STRUCTURE OF THE NOVEL CONOTOXIN IM23A FROM CONUS IMPERIALIS
Descriptor:Conotoxin im17a
Authors:Khoo, K.K., Galea, C.A., Boonyalai, N., Norton, R.S.
Deposit date:2011-12-15
Release date:2012-03-14
Method:SOLUTION NMR
Cite:A helical conotoxin from Conus imperialis has a novel cysteine framework and defiines a new superfamily
J.Biol.Chem., 2012
2OLA
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CRYSTAL STRUCTURE OF O-SUCCINYLBENZOIC ACID SYNTHETASE FROM STAPHYLOCOCCUS AUREUS, CUBIC CRYSTAL FORM
Descriptor:O-succinylbenzoic acid synthetase
Authors:Patskovsky, Y., Sauder, J.M., Ozyurt, S., Wasserman, S.R., Smith, D., Dickey, M., Maletic, M., Reyes, C., Gheyi, T., Gerlt, J.A., Almo, S.C., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-01-18
Release date:2007-02-06
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
2OZT
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CRYSTAL STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE FROM THERMOSYNECHOCOCCUS ELONGATUS BP-1
Descriptor:Tlr1174 protein, PHOSPHATE ION, SODIUM ION
Authors:Malashkevich, V.N., Bonanno, J., Toro, R., Sauder, J.M., Schwinn, K.D., Bain, K.T., Adams, J.M., Reyes, C., Rooney, I., Gheyi, T., Wasserman, S.R., Emtage, S., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-02-27
Release date:2007-03-13
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
3TKH
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CRYSTAL STRUCTURE OF CHK1 IN COMPLEX WITH INHIBITOR S01
Descriptor:Serine/threonine-protein kinase Chk1, SULFATE ION, 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
Authors:Yan, Y., Ikuta, M.
Deposit date:2011-08-26
Release date:2012-04-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates.
Bioorg.Med.Chem.Lett., 22, 2012
3TKI
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CRYSTAL STRUCTURE OF CHK1 IN COMPLEX WITH INHIBITOR S25
Descriptor:Serine/threonine-protein kinase Chk1, SULFATE ION, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide
Authors:Yan, Y., Ikuta, M.
Deposit date:2011-08-26
Release date:2012-04-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates.
Bioorg.Med.Chem.Lett., 22, 2012
4DRT
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THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED SERINE HYDROLASE OSH26, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET OR89
Descriptor:de novo designed serine hydrolase, OR89, SODIUM ION, ...
Authors:Kuzin, A., Su, M., Rajagopalan, S., Seetharaman, J., Sahdev, S., Xiao, R., Ciccosanti, C., Baker, D., Everett, J.K., Acton, T.B., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014