Author results

6O1T
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BOVINE SALIVARY PROTEIN FORM 30B WITH OLEIC ACID
Descriptor:Short palate, lung and nasal epithelium carcinoma-associated protein 2B, CALCIUM ION, ...
Authors:Zhang, H., Arcus, V.L.
Deposit date:2019-02-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of BSP30B with oleic acid at 2.3 Angstroms resolution
To Be Published
6NPV
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD51), N-(1-(3,4-DICHLOROPHENYL)-4-(2-HYDROXYETHYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ISONICOTINAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD29), N-(1-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPE
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD6), 2-CYANO-N-(4-(3,4-DICHLOROPHENYL)THIAZOL-2-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-17
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NFX
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MBTD1 MBT REPEATS
Descriptor:MBT domain-containing protein 1,Enhancer of polycomb homolog 1, UNKNOWN ATOM OR ION, SODIUM ION, ...
Authors:Zhang, H., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-12-21
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:MBTD1 MBT repeats
To Be Published
6J71
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HUA21-SCFV IN COMPLEX WITH THE EXTRACELLULAR DOMAIN(ECD) OF HER2
Descriptor:Receptor tyrosine-protein kinase erbB-2, anti-HER2 humanized antibody HuA21, BETA-D-MANNOSE, ...
Authors:Wang, Z., Guo, G., Cheng, B., Zhu, Z., Niu, L., Zhang, H.
Deposit date:2019-01-16
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.918 Å)
Cite:Structural insight into a matured humanized monoclonal antibody HuA21 against HER2-overexpressing cancer cells
To Be Published
6J6F
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LIGAND BINDING DOMAIN 1 AND 2 OF TALAROMYCES MARNEFFEI MP1 PROTEIN
Descriptor:Envelope glycoprotein, NICKEL (II) ION
Authors:Lam, W.H., Zhang, H., Hao, Q.
Deposit date:2019-01-15
Release date:2019-03-06
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Talaromyces marneffeiMp1 protein, a novel virulence factor, carries two arachidonic acid-binding domains to suppress inflammatory responses in hosts.
Infect. Immun., 2019
6J21
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6J20
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6INC
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CRYSTAL STRUCTURE OF AN ACETOLACTATE DECARBOXYLASE FROM KLEBSIELLA PNEUMONIAE
Descriptor:Alpha-acetolactate decarboxylase, ZINC ION, CHLORIDE ION, ...
Authors:Wu, W., Zhang, Q., Bartlam, M.
Deposit date:2018-10-24
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae
Biochem. Biophys. Res. Commun., 509, 2019
6INB
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CRYSTAL STRUCTURE OF AN ACETOLACTATE DECARBOXYLASE FROM KLEBSIELLA PNEUMONIAE
Descriptor:Alpha-acetolactate decarboxylase, ZINC ION, CHLORIDE ION
Authors:Wu, W., Zhang, Q., Bartlam, M.
Deposit date:2018-10-24
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae
Biochem. Biophys. Res. Commun., 509, 2019
6IIV
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CRYSTAL STRUCTURE OF THE HUMAN THROMBOXANE A2 RECEPTOR BOUND TO DALTROBAN
Descriptor:Soluble cytochrome b562,Thromboxane A2 receptor,Rubredoxin,Thromboxane A2 receptor, 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid, ZINC ION, ...
Authors:Fan, H., Zhao, Q., Wu, B.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
6IIU
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CRYSTAL STRUCTURE OF THE HUMAN THROMBOXANE A2 RECEPTOR BOUND TO RAMATROBAN
Descriptor:Soluble cytochrome b562,Thromboxane A2 receptor,Rubredoxin,Thromboxane A2 receptor, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, ZINC ION, ...
Authors:Fan, H., Zhao, Q., Wu, B.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
6GK8
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CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY DMCBTAU-28.1, DOUBLE MUTANT (S32R, E35K) OF CBTAU-28.1, IN COMPLEX WITH TAU PEPTIDE A7731 (RESIDUES 52-71)
Descriptor:HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71), CHLORIDE ION
Authors:Steinbacher, S., Mrosek, M., Juraszek, J.
Deposit date:2018-05-18
Release date:2018-06-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6GK7
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CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY DMCBTAU-27.1, DOUBLE MUTANT (S31Y, T100I) OF CBTAU-27.1, IN COMPLEX WITH TAU PEPTIDE A8119B (RESIDUES 299-318)
Descriptor:HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-27.1(S31Y,T100I), HUMAN TAU PEPTIDE A8119 RESIDUES 299-318, CHLORIDE ION
Authors:Steinbacher, S., Mrosek, M., Juraszek, J.
Deposit date:2018-05-18
Release date:2018-06-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6FBV
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SINGLE PARTICLE CRYO EM STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS RNA POLYMERASE IN COMPLEX WITH FIDAXOMICIN
Descriptor:DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Das, K., Lin, W., Ebright, E.
Deposit date:2017-12-19
Release date:2018-02-28
Last modified:2018-10-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
6E31
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CRYSTAL STRUCTURE OF RIAM IN AN AUTOINHIBITED CONFIGURATION.
Descriptor:Rap1-interacting adapter molecule
Authors:Chang, Y.C., Su, W., Zhang, H., Huang, Q., Philips, M.R., Wu, J.
Deposit date:2018-07-12
Release date:2019-02-20
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for autoinhibition of RIAM regulated by FAK in integrin activation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DCW
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CRYSTAL STRUCTURE OF HUMAN ANTI-TAU ANTIBODY CBTAU-27.1 FAB IN COMPLEX WITH A HUMAN TAU PEPTIDE
Descriptor:Light chain of CBTAU27.1 Fab, Heavy chain of CBTAU27.1 Fab, tau peptide
Authors:Zhu, X., Zhang, H., Wilson, I.A.
Deposit date:2018-05-08
Release date:2018-06-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6DCV
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CRYSTAL STRUCTURE OF HUMAN ANTI-TAU ANTIBODY CBTAU-27.1
Descriptor:Light chain of CBTAU27.1 Fab, heavy chain of CBTAU-27.1 Fab, GLYCEROL
Authors:Zhu, X., Zhang, H., Wilson, I.A.
Deposit date:2018-05-08
Release date:2018-06-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6CQS
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SEDIMINISPIROCHAETA SMARAGDINAE SPS-1 METALLO-BETA-LACTAMASE
Descriptor:Beta-lactamase, ZINC ION
Authors:Page, R.C., VanPelt, J., Cheng, Z., Crowder, M.W.
Deposit date:2018-03-16
Release date:2018-08-29
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Noncanonical Metal Center Drives the Activity of the Sediminispirochaeta smaragdinae Metallo-beta-lactamase SPS-1.
Biochemistry, 57, 2018
6CKO
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CRYSTAL STRUCTURE OF AN AF10 FRAGMENT
Descriptor:Protein AF-10, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Zhang, H., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-02-28
Release date:2018-03-21
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
6CKN
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CRYSTAL STRUCTURE OF AN AF10 FRAGMENT
Descriptor:Protein AF-10, UNKNOWN ATOM OR ION
Authors:Qin, S., Tempel, W., Li, Y., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-02-28
Release date:2018-03-21
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
6CDG
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GID4 FRAGMENT IN COMPLEX WITH A PEPTIDE
Descriptor:Glucose-induced degradation protein 4 homolog, Hexapeptide PGLWKS, UNKNOWN ATOM OR ION
Authors:Dong, C., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
6CDC
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GID4 IN COMPLEX WITH A TETRAPEPTIDE
Descriptor:Glucose-induced degradation protein 4 homolog, Tetrapeptide PGLW, UNKNOWN ATOM OR ION
Authors:Dong, C., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
6CD9
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GID4 IN COMPLEX WITH A PEPTIDE
Descriptor:Glucose-induced degradation protein 4 homolog, Tetrapeptide PSRW, UNKNOWN ATOM OR ION
Authors:Dong, C., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018