Author results

6MD7
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR PYRIMIDINONE 7
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one, PHOSPHATE ION
Authors:Fodor, M., Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDB
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR PYRAZOLO-PYRIMIDINONE 5
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION
Authors:Fodor, M., Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6BWP
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CRYSTAL STRUCTURE OF DEOXY HEMOGLOBIN IN COMPLEX WITH BETA CYS93 MODIFYING AGENT, TD3
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Musayev, F.N., Safo, R.M., Safo, M.K.
Deposit date:2017-12-15
Release date:2018-01-03
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
6BWU
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CRYSTAL STRUCTURE OF CARBOXYHEMOGLOBIN IN COMPLEX WITH BETA CYS93 MODIFYING AGENT, TD3
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, CARBON MONOXIDE, ...
Authors:Musayev, F.N., Safo, R.M., Safo, M.K.
Deposit date:2017-12-15
Release date:2018-01-03
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
6B0F
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH LSZ102
Descriptor:Estrogen receptor, (2E)-3-[4-({2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl}oxy)phenyl]prop-2-enoic acid, GLYCEROL
Authors:Kirby, C.A., Baird, J.
Deposit date:2017-09-14
Release date:2018-04-04
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.
J. Med. Chem., 61, 2018
5YD0
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CRYSTAL STRUCTURE OF SCHLAFEN 13 (SLFN13) N'-DOMAIN
Descriptor:Schlafen 8, ZINC ION
Authors:Yang, J.-Y., Gao, S.
Deposit date:2017-09-09
Release date:2018-03-28
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (3.182 Å)
Cite:Structure of Schlafen13 reveals a new class of tRNA/rRNA- targeting RNase engaged in translational control
Nat Commun, 9, 2018
5XYV
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER RHINO CHROMOSHADOW DOMAIN IN COMPLEX WITH DEADLOCK N-TERMINAL DOMAIN
Descriptor:RHINO, Protein deadlock
Authors:Yu, B.W., Huang, Y.
Deposit date:2017-07-10
Release date:2018-06-20
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
5XYW
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CRYSTAL STRUCTURE OF DROSOPHILA SIMULANS RHINO CHROMOSHADOW DOMAIN IN COMPLEX WITH N-TERMINAL DOMAIN
Descriptor:Rhino, GD21652
Authors:Yu, B.W., Huang, Y.
Deposit date:2017-07-10
Release date:2018-06-20
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Structural insights into Rhino-Deadlock complex for germline piRNA cluster specification
EMBO Rep., 19, 2018
5XTW
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CRYSTAL STRUCTURE OF THE CYSR-CTLD2 FRAGMENT OF HUMAN MR AT ACIDIC PH
Descriptor:Macrophage mannose receptor 1, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION
Authors:He, Y., Hu, Z.
Deposit date:2017-06-21
Release date:2017-12-27
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insights into the pH-Dependent Conformational Change and Collagen Recognition of the Human Mannose Receptor
Structure, 26, 2018
5XTS
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CRYSTAL STRUCTURE OF THE CYSR-CTLD3 FRAGMENT OF HUMAN MR AT BASIC/NEUTRAL PH
Descriptor:Macrophage mannose receptor 1, CALCIUM ION
Authors:He, Y., Hu, Z.
Deposit date:2017-06-20
Release date:2017-12-27
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the pH-Dependent Conformational Change and Collagen Recognition of the Human Mannose Receptor
Structure, 26, 2018
5T7G
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CRYSTAL STRUCTURE OF MURINE MHC-I H-2DD IN COMPLEX WITH MURINE BETA2-MICROGLOBULIN AND A VARIANT OF PEPTIDE (PT9) OF HIV GP120 MN ISOLATE (IGPGRAFYT)
Descriptor:H-2 class I histocompatibility antigen, D-D alpha chain, Beta-2-microglobulin, ...
Authors:Jiang, J., Natarajan, K., Margulies, D.
Deposit date:2016-09-04
Release date:2017-10-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
5GTM
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MODIFIED HUMAN MXA, NUCLEOTIDE-FREE FORM
Descriptor:Interferon-induced GTP-binding protein Mx1
Authors:Chen, Y., Gao, S.
Deposit date:2016-08-22
Release date:2017-05-31
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Conformational dynamics of dynamin-like MxA revealed by single-molecule FRET
Nat Commun, 8, 2017
5GOM
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TRUNCATED MITOFUSIN-1, TRANSITION-LIKE STATE
Descriptor:Mitofusin-1, GUANOSINE-5'-DIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE
Authors:Cao, Y.L., Gao, S.
Deposit date:2016-07-27
Release date:2017-02-01
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
5GO4
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TRUNCATED MITOFUSIN-1, NUCLEOTIDE-FREE
Descriptor:Mitofusin-1
Authors:Cao, Y.L., Gao, S.
Deposit date:2016-07-26
Release date:2017-01-25
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
5GOE
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TRUNCATED MITOFUSIN-1, GDP-BOUND
Descriptor:Mitofusin-1, GUANOSINE-5'-DIPHOSPHATE
Authors:Cao, Y.L., Gao, S.
Deposit date:2016-07-26
Release date:2017-01-25
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
5GOF
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TRUNCATED MITOFUSIN-1, GTP-BOUND
Descriptor:Mitofusin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Cao, Y.L., Gao, S.
Deposit date:2016-07-26
Release date:2017-01-25
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
5KD4
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CRYSTAL STRUCTURE OF MURINE MHC-I H-2DD IN COMPLEX WITH MURINE BETA2-MICROGLOBULIN AND A VARIANT OF PEPTIDE (PVI10) OF HIV GP120 MN ISOLATE (IGPGRAFYVI)
Descriptor:H-2 class I histocompatibility antigen, D-D alpha chain, Beta-2-microglobulin, ...
Authors:Jiang, J., Natarajan, K., Margulies, D.
Deposit date:2016-06-07
Release date:2017-10-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
5KD7
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CRYSTAL STRUCTURE OF MURINE MHC-I H-2DD IN COMPLEX WITH MURINE BETA2-MICROGLOBULIN AND A VARIANT OF PEPTIDE (PV9) OF HIV GP120 MN ISOLATE (IGPGRAFYV)
Descriptor:H-2 class I histocompatibility antigen, D-D alpha chain, Beta-2-microglobulin, ...
Authors:Jiang, J., Natarajan, K., Margulies, D.
Deposit date:2016-06-07
Release date:2017-10-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
4ZHN
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CRYSTAL STRUCTURE OF ALKB T208A MUTANT PROTEIN IN COMPLEX WITH CO(II), 2-OXOGLUTARATE, AND METHYLATED TRINUCLEOTIDE T-MEA-T
Descriptor:methylated trinucleotide DNA T-meA-T, Alpha-ketoglutarate-dependent dioxygenase AlkB, COBALT (II) ION, ...
Authors:Ergel, B., Yu, B., Vorobiev, S.M., Forouhar, F., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-04-25
Release date:2015-12-23
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.333 Å)
Cite:DFT Studies of the Rate-Limiting Step in the Reaction Cycle of the Fe/2OG Dioxygenase AlkB and Related Experimental Studies
To be published
4M63
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CRYSTAL STRUCTURE OF A FILAMENT-LIKE ACTIN TRIMER BOUND TO THE BACTERIAL EFFECTOR VOPL
Descriptor:T3SS2 effector VopL nucleation of actin polymerization, Actin-5C, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Tomchick, D.R., Zahm, J.A., Rosen, M.K.
Deposit date:2013-08-08
Release date:2013-10-23
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.748 Å)
Cite:The Bacterial Effector VopL Organizes Actin into Filament-like Structures.
Cell(Cambridge,Mass.), 155, 2013
4FE6
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH AN ENAMINO-OXINDOLE INHIBITOR
Descriptor:HIV protease, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
Authors:Silva, A.M., Eissenstat, M., Guerassina, T., Gulnik, S., Afonina, E., Yu, B., Erickson, J., Ludke, D., Yokoe, H.
Deposit date:2012-05-29
Release date:2012-07-18
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2LP6
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REFINED SOLUTION NMR STRUCTURE OF THE 50S RIBOSOMAL PROTEIN L35AE FROM PYROCOCCUS FURIOSUS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET (NESG) PFR48
Descriptor:50S ribosomal protein L35Ae
Authors:Snyder, D.A., Aramini, J.M., Yu, B., Huang, Y.J., Xiao, R., Cort, J.R., Shastry, R., Ma, L., Liu, J., Rost, B., Acton, T.B., Kennedy, M.A., Montelione, G.T., Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-02
Release date:2012-02-15
Last modified:2012-06-20
Method:SOLUTION NMR
Cite:Solution NMR structure of the ribosomal protein RP-L35Ae from Pyrococcus furiosus.
Proteins, 80, 2012
3SEO
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CRYSTAL STRUCTURE OF VOPL C TERMINAL DOMAIN
Descriptor:VopL C terminal domain protein, CHLORIDE ION
Authors:Yu, B., Rosen, M.K., Tomchick, D.R.
Deposit date:2011-06-10
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Mechanism of actin filament nucleation by the bacterial effector VopL.
Nat.Struct.Mol.Biol., 18, 2011
3KY9
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AUTOINHIBITED VAV1
Descriptor:Proto-oncogene vav, ZINC ION
Authors:Tomchick, D.R., Rosen, M.K., Machius, M., Yu, B.
Deposit date:2009-12-04
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.731 Å)
Cite:Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
3IGN
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CRYSTAL STRUCTURE OF THE GGDEF DOMAIN FROM MARINOBACTER AQUAEOLEI DIGUANYLATE CYCLASE COMPLEXED WITH C-DI-GMP - NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MQR89A
Descriptor:Diguanylate cyclase, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
Authors:Vorobiev, S., Neely, H., Seetharaman, J., Wang, H., Foote, E.L., Ciccosanti, C., Sahdev, S., Xiao, R., Acton, T.B., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-07-28
Release date:2009-08-11
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of a catalytically active GG(D/E)EF diguanylate cyclase domain from Marinobacter aquaeolei with bound c-di-GMP product.
J.Struct.Funct.Genom., 13, 2012
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