Author results

3R02
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THE DISCOVERY OF NOVEL BENZOFURAN-2-CARBOXYLIC ACIDS AS POTENT PIM-1 INHIBITORS
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE
Authors:Xiang, Y., Hirth, B., Asmussen, G., Biemann, H.-P., Good, A., Fitzgerald, M., Gladysheva, T., Jancsics, K., Liu, J., Metz, M., Papoulis, A., Skerlj, R., Stepp, D.J., Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R04
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THE DISCOVERY OF NOVEL BENZOFURAN-2-CARBOXYLIC ACIDS AS POTENT PIM-1 INHIBITORS
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE
Authors:Xiang, Y., Hirth, B., Asmussen, G., Biemann, H.-P., Good, A., Fitzgerald, M., Gladysheva, T., Jancsics, K., Liu, J., Metz, M., Papoulis, A., Skerlj, R., Stepp, D.J., Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4RWA
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SYNCHROTRON STRUCTURE OF THE HUMAN DELTA OPIOID RECEPTOR IN COMPLEX WITH A BIFUNCTIONAL PEPTIDE (PSI COMMUNITY TARGET)
Descriptor:Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Fenalti, G., Zatsepin, N.A., Betti, C., Giguere, P., Han, G.W., Ishchenko, A., Liu, W., Guillemyn, K., Zhang, H., James, D., Wang, D., Weierstall, U., Spence, J.C.H., Boutet, S., Messerschmidt, M., Williams, G.J., Gati, C., Yefanov, O.M., White, T.A., Oberthuer, D., Metz, M., Yoon, C.H., Barty, A., Chapman, H.N., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Fromme, P., Tourwe, D., Schiller, P.W., Roth, B.L., Ballet, S., Katritch, V., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RWD
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XFEL STRUCTURE OF THE HUMAN DELTA OPIOID RECEPTOR IN COMPLEX WITH A BIFUNCTIONAL PEPTIDE
Descriptor:Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide, OLEIC ACID, ...
Authors:Fenalti, G., Zatsepin, N.A., Betti, C., Giguere, P., Han, G.W., Ishchenko, A., Liu, W., Guillemyn, K., Zhang, H., James, D., Wang, D., Weierstall, U., Spence, J.C.H., Boutet, S., Messerschmidt, M., Williams, G.J., Gati, C., Yefanov, O.M., White, T.A., Oberthuer, D., Metz, M., Yoon, C.H., Barty, A., Chapman, H.N., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Fromme, P., Tourwe, D., Schiller, P.W., Roth, B.L., Ballet, S., Katritch, V., Stevens, R.C., Cherezov, V., GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4X31
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ROOM TEMPERATURE STRUCTURE OF BACTERIORHODOPSIN FROM LIPIDIC CUBIC PHASE OBTAINED WITH SERIAL MILLISECOND CRYSTALLOGRAPHY USING SYNCHROTRON RADIATION
Descriptor:Bacteriorhodopsin, RETINAL, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
Authors:Nogly, P., James, D., Wang, D., White, T., Zatsepin, N., Shilova, A., Nelson, G., Liu, H., Johansson, L., Heymann, M., Jaeger, K., Metz, M., Wickstrand, C., Wu, W., Baath, P., Berntsen, P., Oberthuer, D., Panneels, V., Cherezov, V., Chapman, H., Spence, J., Schertler, G., Neutze, R., Moraes, I., Burghammer, M., Standfuss, J., Weierstall, U.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
5E79
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MACROMOLECULAR DIFFRACTIVE IMAGING USING IMPERFECT CRYSTALS
Descriptor:Photosystem II protein D1 1, Photosystem II CP47 reaction center protein, Photosystem II CP43 reaction center protein, ...
Authors:Ayyer, K., Yefanov, O., Oberthur, D., Roy-Chowdhury, S., Galli, L., Mariani, V., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Schaffer, A., Dorner, K., James, D., Kupitz, C., Metz, M., Nelson, G., Xavier, P.L., Beyerlein, K.R., Schmidt, M., Sarrou, I., Spence, J.C.H., Weierstall, U., White, T.A., Yang, J.-H., Zhao, Y., Liang, M., Aquila, A., Hunter, M.S., Koglin, J.E., Boutet, S., Fromme, P., Barty, A., Chapman, H.N.
Deposit date:2015-10-12
Release date:2017-02-08
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
5E7C
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MACROMOLECULAR DIFFRACTIVE IMAGING USING IMPERFECT CRYSTALS - BRAGG DATA
Descriptor:Photosystem II protein D1 1, Photosystem II CP47 reaction center protein, Photosystem II CP43 reaction center protein, ...
Authors:Ayyer, K., Yefanov, O., Oberthuer, D., Roy-Chowdhury, S., Galli, L., Mariani, V., Basu, S., Coe, J., Conrad, C.E., Fromme, R., Schaffner, A., Doerner, K., James, D., Kupitz, C., Metz, M., Nelson, G., Xavier, P.L., Beyerlein, K.R., Schmidt, M., Sarrou, I., Spence, J.C.H., Weierstall, U., White, T.A., Yang, J.-H., Zhao, Y., Liang, M., Aquila, A., Hunter, M.S., Robinson, J.S., Koglin, J.E., Boutet, S., Fromme, P., Barty, A., Chapman, H.N.
Deposit date:2015-10-12
Release date:2016-02-10
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
4ZIX
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STRUCTURE OF HEWL USING SERIAL FEMTOSECOND CRYSTALLOGRAPHY OF SOLUBLE PROTEINS IN LIPIDIC CUBIC PHASE
Descriptor:Lysozyme C, CHLORIDE ION, SODIUM ION
Authors:Fromme, R., Ishchenko, A., Metz, M., Roy-Chowdhury, S., Basu, S., Boutet, S., Fromme, P., White, T.A., Barty, A., Spence, J.C.H., Weierstall, U., Liu, W., Cherezov, V.
Deposit date:2015-04-28
Release date:2015-08-12
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase
IUCrJ, 2, 2015
4ZIZ
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SERIAL FEMTOSECOND CRYSTALLOGRAPHY OF SOLUBLE PROTEINS IN LIPIDIC CUBIC PHASE (C-PHYCOCYANIN FROM T. ELONGATUS)
Descriptor:C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Fromme, R., Ishchenko, A., Metz, M., Roy-Chowdhury, S., Basu, S., Boutet, S., Fromme, P., White, T.A., Barty, A., Spence, J.C.H., Weierstall, U., Liu, W., Cherezov, V.
Deposit date:2015-04-28
Release date:2015-08-19
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Serial femtosecond crystallography of soluble proteins in lipidic cubic phase.
IUCrJ, 2, 2015
6FTR
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SERIAL FEMTOSECOND CRYSTALLOGRAPHY AT MEGAHERTZ PULSE RATES
Descriptor:Lysozyme C, CHLORIDE ION, SODIUM ION, ...
Authors:Wiedorn, M.O., Oberthuer, D., Barty, A., Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.760001 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
6GTH
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SERIAL FEMTOSECOND CRYSTALLOGRAPHY AT MEGAHERTZ PULSE RATES
Descriptor:Beta-lactamase, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
Authors:Wiedorn, M., Oberthuer, D., Werner, N., Schubert, R., White, T.A., Mancuso, A., Perbandt, M., Betzel, C., Barty, A., Chapman, H.
Deposit date:2018-06-18
Release date:2018-10-10
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
4X32
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BACTERIORHODOPSIN GROUND STATE STRUCTURE COLLECTED IN CRYO CONDITIONS FROM CRYSTALS OBTAINED IN LCP WITH PEG AS A PRECIPITANT.
Descriptor:Bacteriorhodopsin, RETINAL, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
Authors:Nogly, P., Standfuss, J.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
5HD3
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FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: DARK STRUCTURE OF PHOTOACTIVE YELLOW PROTEIN
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-18
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HD5
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FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 200 NS TIME DELAY PHOTO-ACTIVATED (LIGHT) STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDC
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FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 100 FS TO 400 FS STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDD
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FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 800 FS TO 1200 FS STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDS
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FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 3 PS STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5ML2
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THE CRYSTAL STRUCTURE OF PDE6D IN COMPLEX WITH INHIBITOR-3
Descriptor:Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide
Authors:Fansa, E.K., Martin-Gago, P., Waldmann, H., Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ML3
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THE CRYSTAL STRUCTURE OF PDE6D IN COMPLEX TO DELTASONAMIDE1
Descriptor:Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
Authors:Fansa, E.K., Martin-Gago, P., Waldmann, H., Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ML4
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THE CRYSTAL STRUCTURE OF PDE6D IN COMPLEX TO INHIBITOR-7
Descriptor:Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid
Authors:Fansa, E.K., Martin-Gago, P., waldmann, H., Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ML6
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THE CRYSTAL STRUCTURE OF PDE6D IN COMPLEX TO INHIBITOR-8
Descriptor:Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid
Authors:Fansa, E.K., Martin-gago, P., Waldmann, H., Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ML8
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THE CRYSTAL STRUCTURE OF PDE6D IN COMPLEX TO INHIBITOR-4
Descriptor:Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}4-[(4-chlorophenyl)methyl]-~{N}4-cyclopentyl-~{N}1-(phenylmethyl)-~{N}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
Authors:Fansa, E.K., Martin-Gago, P., Waldmann, H., Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NJP
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MIX-AND-DIFFUSE SERIAL SYNCHROTRON CRYSTALLOGRAPHY: STRUCTURE OF N,N',N''-TRIACETYLCHITOTRIOSE BOUND TO LYSOZYME WITH 1S TIME-DELAY, PHASED WITH 1HEW
Descriptor:Lysozyme C, N-ACETYL-D-GLUCOSAMINE, CHLORIDE ION, ...
Authors:Oberthuer, D., Meents, A., Beyerlein, K.R., Chapman, H.N., Lieseke, J.
Deposit date:2017-03-29
Release date:2017-10-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
5NJQ
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MIX-AND-DIFFUSE SERIAL SYNCHROTRON CRYSTALLOGRAPHY: STRUCTURE OF N,N',N''-TRIACETYLCHITOTRIOSE BOUND TO LYSOZYME WITH 1S TIME-DELAY, PHASED WITH 4ET8
Descriptor:Lysozyme C, TRIACETYLCHITOTRIOSE, CHLORIDE ION, ...
Authors:Oberthuer, D., Meents, A., Beyerlein, K.R., Chapman, H.N., Lieseke, J.
Deposit date:2017-03-29
Release date:2017-10-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
5NJR
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MIX-AND-DIFFUSE SERIAL SYNCHROTRON CRYSTALLOGRAPHY: STRUCTURE OF N,N',N''-TRIACETYLCHITOTRIOSE BOUND TO LYSOZYME WITH 50S TIME-DELAY, PHASED WITH 4ET8
Descriptor:Lysozyme C, TRIACETYLCHITOTRIOSE, CHLORIDE ION, ...
Authors:Oberthuer, D., Meents, A., Beyerlein, K.R., Chapman, H.N., Lieseke, J.
Deposit date:2017-03-29
Release date:2017-10-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
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