Author results

6YVF
  • Download 6yvf
  • View 6yvf
Molmil generated image of 6yvf
STRUCTURE OF SARS-COV-2 MAIN PROTEASE BOUND TO AZD6482.
Descriptor:Replicase polyprotein 1ab, 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, CHLORIDE ION, ...
Authors:Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.
Deposit date:2020-04-28
Release date:2020-05-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of SARS-CoV-2 Main Protease bound 2-Methyl-1-tetralone.
To Be Published
6YZ6
  • Download 6yz6
  • View 6yz6
Molmil generated image of 6yz6
STRUCTURE OF THE HEMIACETAL COMPLEX BETWEEN THE SARS-COV-2 MAIN PROTEASE AND LEUPEPTIN
Descriptor:Main Protease, LEUPEPTIN, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S., Reinke, P.Y.A., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H.M., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashhour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Xavier, P.L., Ullah, N., Andaleeb, H., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Zaitsev-Doyle, J.J., Rogers, C., Gieseler, H., Melo, D., Monteiro, D.C.F., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schluenzen, F., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Sun, X., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.
Deposit date:2020-05-06
Release date:2020-05-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
To Be Published
6YT8
  • Download 6yt8
  • View 6yt8
Molmil generated image of 6yt8
STRUCTURE OF SARS-COV-2 MAIN PROTEASE BOUND TO PYRITHIONE ZINC
Descriptor:Replicase polyprotein 1ab, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, IMIDAZOLE, ...
Authors:Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.
Deposit date:2020-04-24
Release date:2020-05-06
Last modified:2020-05-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of SARS-CoV-2 Main Protease bound 2-Methyl-1-tetralone.
To Be Published
6YNQ
  • Download 6ynq
  • View 6ynq
Molmil generated image of 6ynq
STRUCTURE OF SARS-COV-2 MAIN PROTEASE BOUND TO 2-METHYL-1-TETRALONE.
Descriptor:Replicase polyprotein 1ab, (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S., Reinke, P., Oberthuer, D., Yefanov, O., Gelisio, L., Ginn, H., Lieske, J., Domaracky, M., Brehm, W., Rahmani Mashour, A., White, T.A., Knoska, J., Pena Esperanza, G., Koua, F., Tolstikova, A., Groessler, M., Fischer, P., Hennicke, V., Fleckenstein, H., Trost, F., Galchenkova, M., Gevorkov, Y., Li, C., Awel, S., Paulraj, L.X., Ullah, N., Falke, S., Alves Franca, B., Schwinzer, M., Brognaro, H., Werner, N., Perbandt, M., Tidow, H., Seychell, B., Beck, T., Meier, S., Doyle, J.J., Giseler, H., Melo, D., Dunkel, I., Lane, T.J., Peck, A., Saouane, S., Hakanpaeae, J., Meyer, J., Noei, H., Gribbon, P., Ellinger, B., Kuzikov, M., Wolf, M., Zhang, L., Ehrt, C., Pletzer-Zelgert, J., Wollenhaupt, J., Feiler, C., Weiss, M., Schulz, E.C., Mehrabi, P., Norton-Baker, B., Schmidt, C., Lorenzen, K., Schubert, R., Han, H., Chari, A., Fernandez Garcia, Y., Turk, D., Hilgenfeld, R., Rarey, M., Zaliani, A., Chapman, H.N., Pearson, A., Betzel, C., Meents, A.
Deposit date:2020-04-14
Release date:2020-04-29
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of SARS-CoV-2 Main Protease bound 2-Methyl-1-tetralone.
To Be Published
6RFU
  • Download 6rfu
  • View 6rfu
Molmil generated image of 6rfu
IN CELLULO CRYSTALLIZATION OF TRYPANOSOMA BRUCEI IMP DEHYDROGENASE ENABLES THE IDENTIFICATION OF ATP AND GMP AS GENUINE CO-FACTORS
Descriptor:Inosine-5'-monophosphate dehydrogenase, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE
Authors:Nass, K., Redecke, L., Perbandt, M., Yefanov, O., Gabdulkhakov, A., Duszenko, M., Chapman, H.N., Betzel, C.
Deposit date:2019-04-16
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
6PGK
  • Download 6pgk
  • View 6pgk
Molmil generated image of 6pgk
MEMBRANE PROTEIN MEGAHERTZ CRYSTALLOGRAPHY AT THE EUROPEAN XFEL, PHOTOSYSTEM I XFEL AT 2.9 A
Descriptor:Photosystem I P700 chlorophyll a apoprotein A1, Photosystem I P700 chlorophyll a apoprotein A2, Photosystem I iron-sulfur center, ...
Authors:Fromme, R., Gisriel, C., Fromme, P.
Deposit date:2019-06-24
Release date:2019-11-27
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6PFY
  • Download 6pfy
  • View 6pfy
Molmil generated image of 6pfy
MEMBRANE PROTEIN MEGAHERTZ CRYSTALLOGRAPHY AT THE EUROPEAN XFEL, PHOTOSYSTEM I AT SYNCHROTRON TO 2.9 A
Descriptor:Photosystem I P700 chlorophyll a apoprotein A1, Photosystem I P700 chlorophyll a apoprotein A2, Photosystem I iron-sulfur center, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6P4I
  • Download 6p4i
  • View 6p4i
Molmil generated image of 6p4i
PHOTOACTIVE YELLOW PROTEIN PYP 10PS
Descriptor:Photoactive yellow protein
Authors:Pandey, S., Schmidt, M.
Deposit date:2019-05-27
Release date:2019-09-18
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial femtosecond crystallography at the European XFEL.
Nat.Methods, 17, 2020
6P5D
  • Download 6p5d
  • View 6p5d
Molmil generated image of 6p5d
PHOTOACTIVE YELLOW PROTEIN PYP 30PS
Descriptor:Photoactive yellow protein
Authors:Pandey, S., Schmidt, M.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial femtosecond crystallography at the European XFEL.
Nat.Methods, 17, 2020
6P5E
  • Download 6p5e
  • View 6p5e
Molmil generated image of 6p5e
PHOTOACTIVE YELLOW PROTEIN PYP 80PS
Descriptor:Photoactive yellow protein
Authors:Pandey, S., Schmidt, M.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial femtosecond crystallography at the European XFEL.
Nat.Methods, 17, 2020
6P5F
  • Download 6p5f
  • View 6p5f
Molmil generated image of 6p5f
PHOTOACTIVE YELLOW PROTEIN PYP PURE DARK
Descriptor:Photoactive yellow protein
Authors:Pandey, S., Schmidt, M.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Time-resolved serial femtosecond crystallography at the European XFEL.
Nat.Methods, 17, 2020
6P5G
  • Download 6p5g
  • View 6p5g
Molmil generated image of 6p5g
PHOTOACTIVE YELLOW PROTEIN PYP DARK FULL
Descriptor:Photoactive yellow protein
Authors:Pandey, S., Schmidt, M.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial femtosecond crystallography at the European XFEL.
Nat.Methods, 17, 2020
6ME2
  • Download 6me2
  • View 6me2
Molmil generated image of 6me2
XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH RAMELTEON
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME3
  • Download 6me3
  • View 6me3
Molmil generated image of 6me3
XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH 2-PHENYLMELATONIN
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, OLEIC ACID, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME4
  • Download 6me4
  • View 6me4
Molmil generated image of 6me4
XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH 2-IODOMELATONIN
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6ME5
  • Download 6me5
  • View 6me5
Molmil generated image of 6me5
XFEL CRYSTAL STRUCTURE OF HUMAN MELATONIN RECEPTOR MT1 IN COMPLEX WITH AGOMELATINE
Descriptor:chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide, OLEIC ACID
Authors:Stauch, B., Johansson, L.C., McCorvy, J.D., Patel, N., Han, G.W., Gati, C., Batyuk, A., Ishchenko, A., Brehm, W., White, T.A., Michaelian, N., Madsen, C., Zhu, L., Grant, T.D., Grandner, J.M., Olsen, R.H.J., Tribo, A.R., Weierstall, U., Roth, B.L., Katritch, V., Liu, W., Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
6FTR
  • Download 6ftr
  • View 6ftr
Molmil generated image of 6ftr
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
  • Download 6gth
  • View 6gth
Molmil generated image of 6gth
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
6B5X
  • Download 6b5x
  • View 6b5x
Molmil generated image of 6b5x
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
  • Download 6b5y
  • View 6b5y
Molmil generated image of 6b5y
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
  • Download 6b68
  • View 6b68
Molmil generated image of 6b68
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
Last modified:2019-12-25
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
  • Download 6b69
  • View 6b69
Molmil generated image of 6b69
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
Last modified:2020-01-15
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
  • Download 6b6a
  • View 6b6a
Molmil generated image of 6b6a
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
Last modified:2020-01-15
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
  • Download 6b6b
  • View 6b6b
Molmil generated image of 6b6b
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
  • Download 6b6c
  • View 6b6c
Molmil generated image of 6b6c
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
167327
PDB entries from 2020-08-05