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6J81
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CRYSTAL STRUCTURE OF CERT START DOMAIN IN COMPLEX WITH COMPOUND E14
Descriptor:LIPID-TRANSFER PROTEIN CERT, 2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Authors:Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Deposit date:2019-01-18
Release date:2019-02-27
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6J8E
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HUMAN NAV1.2-BETA2-KIIIA TERNARY COMPLEX
Descriptor:Sodium channel subunit beta-2, Sodium channel protein type 2 subunit alpha, Mu-conotoxin KIIIA, ...
Authors:Pan, X., Li, Z., Huang, X., Huang, G., Yan, N.
Deposit date:2019-01-18
Release date:2019-02-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for pore blockade of human Na+channel Nav1.2 by the mu-conotoxin KIIIA.
Science, 2019
6NPN
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CRYSTAL STRUCTURE OF THE HUMAN VACCINIA-RELATED KINASE BOUND TO A N,N-DIPROPYNYL-DIHYDROPTERIDINE-3-HYDROXYINDAZOLE INHIBITOR
Descriptor:Serine/threonine-protein kinase VRK1, (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, SULFATE ION, ...
Authors:Counago, R.M., dos Reis, C.V., Takarada, J.E., Azevedo, A., Guimaraes, C., Mascarello, A., Gama, F., Ferreira, M., Massirer, K.B., Arruda, P., Edwards, A.M., Elkins, J.M., Structural Genomics Consortium (SGC)
Deposit date:2019-01-18
Release date:2019-02-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
To Be Published
6NPO
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CRYSTAL STRUCTURE OF OLIGOPEPTIDE ABC TRANSPORTER FROM BACILLUS ANTHRACIS STR. AMES (SUBSTRATE-BINDING DOMAIN)
Descriptor:Oligopeptide ABC transporter, oligopeptide-binding protein, Unknown peptide ligand, ...
Authors:Michalska, K., Maltseva, N., Endres, M., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-18
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain)
To Be Published
6NPP
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CRYSTAL STRUCTURE OF EPSTEIN-BARR VIRUS NUCLEAR ANTIGEN-1, EBNA1, BOUND TO FRAGMENTS
Descriptor:Epstein-Barr nuclear antigen 1, EBNA1, 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid
Authors:Messick, T.E.
Deposit date:2019-01-18
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 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
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
6NPZ
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CRYSTAL STRUCTURE OF AKT1 (AA 123-480) KINASE WITH A BISUBSTRATE
Descriptor:RAC-alpha serine/threonine-protein kinase, bisubstrate, MANGANESE (II) ION, ...
Authors:Chu, N., Cole, P.A., Gabelli, S.B.
Deposit date:2019-01-18
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
6QIC
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CRYSTAL STRUCTURE OF DEAH-BOX ATPASE PRP22-S837A WITH BOUND SSRNA
Descriptor:Putative pre-mRNA splicing factor, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3')
Authors:Hamann, F., Ficner, R., Enders, M.
Deposit date:2019-01-18
Release date:2019-03-06
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for RNA translocation by DEAH-box ATPases.
Nucleic Acids Res., 2019
6QID
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CRYSTAL STRUCTURE OF DEAH-BOX ATPASE PRP43-S387A
Descriptor:Prp43, (4S)-2-METHYL-2,4-PENTANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Hamann, F., Ficner, R., Enders, M.
Deposit date:2019-01-18
Release date:2019-03-06
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural basis for RNA translocation by DEAH-box ATPases.
Nucleic Acids Res., 2019
6QIE
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CRYSTAL STRUCTURE OF DEAH-BOX ATPASE PRP43-S387G
Descriptor:Prp43, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hamann, F., Ficner, R., Enders, M.
Deposit date:2019-01-18
Release date:2019-03-06
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for RNA translocation by DEAH-box ATPases.
Nucleic Acids Res., 2019
6J7C
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CRYSTAL STRUCTURE OF PROLINE RACEMASE-LIKE PROTEIN FROM THERMOCOCCUS LITORALIS IN COMPLEX WITH PROLINE
Descriptor:Proline racemase, PROLINE
Authors:Watanabe, Y., Watanabe, S., Itoh, Y., Watanabe, Y.
Deposit date:2019-01-17
Release date:2019-02-27
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of substrate-bound bifunctional proline racemase/hydroxyproline epimerase from a hyperthermophilic archaeon.
Biochem. Biophys. Res. Commun., 511, 2019
6NP7
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CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI BROMODOMAIN BDF2 (TCCLB.506553.20)
Descriptor:Bromodomain factor 2 protein
Authors:Lin, Y.H., Dong, A., Loppnau, P., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Vedadi, M., Hui, R., Harding, R.J., Structural Genomics Consortium (SGC)
Deposit date:2019-01-17
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
to be published
6NP9
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PD-L1 IGV DOMAIN V76T WITH FRAGMENT
Descriptor:Programmed cell death 1 ligand 1, SULFATE ION
Authors:Zhao, B., Perry, E.
Deposit date:2019-01-17
Release date:2019-02-20
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6NPA
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X-RAY CRYSTAL STRUCTURE OF TMPB, (R)-1-HYDROXY-2-TRIMETHYLAMINOETHYLPHOSPHONATE OXYGENASE, WITH (R)-1-HYDROXY-2-TRIMETHYLAMINOETHYLPHOSPHONATE
Descriptor:TmpB, (R)-1-hydroxy-2-trimethylaminoethylphosphonate oxygenase, FE (III) ION, ...
Authors:Rajakovich, L.J., Mitchell, A.J., Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A new microbial pathway for organophosphonate degradation catalyzed by two previously misannotated non-heme-iron oxygenases.
Biochemistry, 2019
6NPB
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X-RAY CRYSTAL STRUCTURE OF TMPA, 2-TRIMETHYLAMINOETHYLPHOSPHONATE HYDROXYLASE, WITH FE AND 2OG
Descriptor:TmpA, 2-trimethylaminoethylphosphonate hydroxylase, FE (II) ION, ...
Authors:Rajakovich, L.J., Mitchell, A.J., Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A new microbial pathway for organophosphonate degradation catalyzed by two previously misannotated non-heme-iron oxygenases.
Biochemistry, 2019
6NPC
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X-RAY CRYSTAL STRUCTURE OF TMPA, 2-TRIMETHYLAMINOETHYLPHOSPHONATE HYDROXYLASE, WITH FE, 2OG, AND 2-TRIMETHYLAMINOETHYLPHOSPHONATE
Descriptor:TmpA, 2-trimethylaminoethylphosphonate hydroxylase, FE (II) ION, ...
Authors:Rajakovich, L.J., Mitchell, A.J., Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A new microbial pathway for organophosphonate degradation catalyzed by two previously misannotated non-heme-iron oxygenases.
Biochemistry, 2019
6NPD
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X-RAY CRYSTAL STRUCTURE OF TMPA, 2-TRIMETHYLAMINOETHYLPHOSPHONATE HYDROXYLASE, WITH FE, 2OG, AND (R)-1-HYDROXY-2-TRIMETHYLAMINOETHYLPHOSPHONATE
Descriptor:TmpA, 2-trimethylaminoethylphosphonate hydroxylase, FE (II) ION, ...
Authors:Rajakovich, L.J., Mitchell, A.J., Boal, A.K.
Deposit date:2019-01-17
Release date:2019-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A new microbial pathway for organophosphonate degradation catalyzed by two previously misannotated non-heme-iron oxygenases.
Biochemistry, 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
6NPG
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CRYSTAL STRUCTURE OF MOUSE PROTEIN ARGININE METHYLTRANSFERASE 7 IN COMPLEX WITH SGC8158 CHEMICAL PROBE
Descriptor:Protein arginine N-methyltransferase 7, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine, ZINC ION, ...
Authors:Halabelian, L., Dong, A., Zeng, H., Li, Y., Hutchinson, A., Seitova, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2019-01-17
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe
To be Published
6NPI
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CRYSTAL STRUCTURE OF EPSTEIN-BARR VIRUS NUCLEAR ANTIGEN-1, EBNA1, BOUND TO FRAGMENTS
Descriptor:Epstein-Barr nuclear antigen 1, 2-pyrrol-1-ylbenzoic acid, ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid
Authors:Messick, T.E.
Deposit date:2019-01-17
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
6NPM
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CRYSTAL STRUCTURE OF EPSTEIN-BARR VIRUS NUCLEAR ANTIGEN-1, EBNA1, BOUND TO FRAGMENTS
Descriptor:Epstein-Barr nuclear antigen 1, 5-(phenylethynyl)pyridine-3-carboxylic acid
Authors:Messick, T.E.
Deposit date:2019-01-17
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
6QI6
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TRIGONAL FORM OF WT RECOMBINANT BOVINE BETA-LACTOGLOBULIN
Descriptor:Beta-lactoglobulin, 1,2-ETHANEDIOL, ETHANOL
Authors:Loch, J.I., Krawczyk, A., Lewinski, K.
Deposit date:2019-01-17
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Trigonal form of WT recombinant bovine beta-lactoglobulin
To Be Published
6QI7
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ENGINEERED BETA-LACTOGLOBULIN: VARIANT L39Y IN COMPLEX WITH ENDOGENOUS LIGAND
Descriptor:Beta-lactoglobulin, PALMITIC ACID, 1,2-ETHANEDIOL
Authors:Loch, J.I., Siuda, M.K., Lewinski, K.
Deposit date:2019-01-17
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered beta-lactoglobulin: variant L39Y in complex with endogenous ligand
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