Author results

4ZWJ
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CRYSTAL STRUCTURE OF RHODOPSIN BOUND TO ARRESTIN BY FEMTOSECOND X-RAY LASER
Descriptor:Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y., Zhou, X.E., Gao, X., He, Y., Liu, W., Ishchenko, A., Barty, A., White, T.A., Yefanov, O., Han, G.W., Xu, Q., de Waal, P.W., Ke, J., Tan, M.H.E., Zhang, C., Moeller, A., West, G.M., Pascal, B., Eps, N.V., Caro, L.N., Vishnivetskiy, S.A., Lee, R.J., Suino-Powell, K.M., Gu, X., Pal, K., Ma, J., Zhi, X., Boutet, S., Williams, G.J., Messerschmidt, M., Gati, C., Zatsepin, N.A., Wang, D., James, D., Basu, S., Roy-Chowdhury, S., Conrad, C., Coe, J., Liu, H., Lisova, S., Kupitz, C., Grotjohann, I., Fromme, R., Jiang, Y., Tan, M., Yang, H., Li, J., Wang, M., Zheng, Z., Li, D., Howe, N., Zhao, Y., Standfuss, J., Diederichs, K., Dong, Y., Potter, C.S., Carragher, B., Caffrey, M., Jiang, H., Chapman, H.N., Spence, J.C.H., Fromme, P., Weierstall, U., Ernst, O.P., Katritch, V., Gurevich, V.V., Griffin, P.R., Hubbell, W.L., Stevens, R.C., Cherezov, V., Melcher, K., Xu, H.E., GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
5J7A
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BACTERIORHODOPSIN GROUND STATE STRUCTURE OBTAINED WITH SERIAL FEMTOSECOND CRYSTALLOGRAPHY
Descriptor:Bacteriorhodopsin, RETINAL, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL
Authors:Nogly, P., Panneels, V., Nelson, G., Gati, C., Kimura, T., Milne, C., Milathianaki, D., Kubo, M., Wu, W., Conrad, C., Coe, J., Bean, R., Zhao, Y., Bath, P., Dods, R., Harimoorthy, R., Beyerlein, K.R., Rheinberger, J., James, D., DePonte, D., Li, C., Sala, L., Williams, G., Hunter, M., Koglin, J.E., Berntsen, P., Nango, E., Iwata, S., Chapman, H.N., Fromme, P., Frank, M., Abela, R., Boutet, S., Barty, A., White, T.A., Weierstall, U., Spence, J., Neutze, R., Schertler, G., Standfuss, J.
Deposit date:2016-04-06
Release date:2016-08-31
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
5UVI
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, CHOLESTEROL, ...
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVJ
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Lysozyme C, CHLORIDE ION, SODIUM ION
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVK
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Iucrj, 4, 2017
5UVL
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SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Proteinase K, NITRATE ION, CALCIUM ION
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
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
4YAY
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XFEL STRUCTURE OF HUMAN ANGIOTENSIN RECEPTOR
Descriptor:Soluble cytochrome b562,Type-1 angiotensin II receptor, 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one
Authors:Zhang, H., Unal, H., Gati, C., Han, G.W., Zatsepin, N.A., James, D., Wang, D., Nelson, G., Weierstall, U., Messerschmidt, M., Williams, G.J., Boutet, S., Yefanov, O.M., White, T.A., Liu, W., Ishchenko, A., Tirupula, K.C., Desnoyer, R., Sawaya, M.C., Xu, Q., Coe, J., Cornrad, C.E., Fromme, P., Stevens, R.C., Katritch, V., Karnik, S.S., Cherezov, V., GPCR Network (GPCR)
Deposit date:2015-02-18
Release date:2015-04-22
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 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
5TTS
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JAK3 WITH COVALENT INHIBITOR 4
Descriptor:Tyrosine-protein kinase JAK3, 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTU
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JAK3 WITH COVALENT INHIBITOR 7
Descriptor:Tyrosine-protein kinase JAK3, 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTV
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JAK3 WITH COVALENT INHIBITOR 6
Descriptor:Tyrosine-protein kinase JAK3, N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5VIL
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CRYSTAL STRUCTURE OF ASK1 KINASE DOMAIN WITH A POTENT INHIBITOR (ANALOG 6)
Descriptor:Mitogen-activated protein kinase kinase kinase 5, 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE
Authors:Jasti, J., Chang, J., Kurumbail, R.
Deposit date:2017-04-17
Release date:2018-01-17
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
5VIO
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CRYSTAL STRUCTURE OF ASK1 KINASE DOMAIN WITH A POTENT INHIBITOR (ANALOG 13)
Descriptor:Mitogen-activated protein kinase kinase kinase 5, 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
Authors:Jasti, J., Chang, J., Kurumbail, R.
Deposit date:2017-04-17
Release date:2018-01-17
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
6B5X
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BETA-LACTAMASE, UNMIXED SHARDS CRYSTAL FORM
Descriptor:Beta-lactamase, PHOSPHATE ION
Authors:Pandey, S.
Deposit date:2017-09-29
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B5Y
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BETA-LACTAMASE, MIXED WITH CEFTRIAXONE, 30MS TIME POINT, SHARDS CRYSTAL FORM
Descriptor:Beta-lactamase, PHOSPHATE ION, Ceftriaxone
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-09-29
Release date:2018-06-27
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B68
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BETA-LACTAMASE, 100MS TIMEPOINT, MIXED, SHARDS CRYSTAL FORM
Descriptor:Beta-lactamase, PHOSPHATE ION, Ceftriaxone, ...
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B69
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BETA-LACTAMASE, 500MS TIMEPOINT, MIXED, SHARDS CRYSTAL FORM
Descriptor:Beta-lactamase, PHOSPHATE ION, Ceftriaxone, ...
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6A
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BETA-LACTAMASE, 2SECS TIMEPOINT, MIXED, SHARDS CRYSTAL FORM
Descriptor:Beta-lactamase, PHOSPHATE ION, Ceftriaxone, ...
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6B
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BETA-LACTAMASE, UNMIXED NEEDLES CRYSTAL FORM
Descriptor:Beta-lactamase
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6C
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BETA-LACTAMASE, MIXED WITH CEFTRIAXONE, NEEDLES CRYSTAL FORM, 30MS
Descriptor:Beta-lactamase, Ceftriaxone
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6D
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BETA-LACTAMASE, MIXED WITH CEFTRIAXONE, NEEDLES CRYSTAL FORM, 100MS
Descriptor:Beta-lactamase, (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Ceftriaxone
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6E
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BETA-LACTAMASE, MIXED WITH CEFTRIAXONE, NEEDLES CRYSTAL FORM, 500MS
Descriptor:Beta-lactamase, (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Ceftriaxone
Authors:Pandey, S., Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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