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7YYY
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BU of 7yyy by Molmil
Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation
Descriptor: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYQ
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BU of 7yyq by Molmil
Molecular snapshots of drug release from tubulin: Dark state
Descriptor: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Weinert, T, Standfuss, J.
Deposit date:2022-02-18
Release date:2023-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
6RQP
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BU of 6rqp by Molmil
Steady-state-SMX dark state structure of bacteriorhodopsin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
8CLE
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BU of 8cle by Molmil
Vinblastine bound to tubulin (T2R-TTL) complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL7
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BU of 8cl7 by Molmil
Krokinobacter eikastus rhodopsin 2 (KR2) in dark state
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
Authors:Bertrand, Q, Wranik, M, Kepa, M.W, Weinert, T, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL8
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BU of 8cl8 by Molmil
Krokinobacter eikastus rhodopsin 2 (KR2) extrapolated map 1us after light activation
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
Authors:Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL6
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BU of 8cl6 by Molmil
Lysozyme in matrix of hydroxyethylcellulose (HEC)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ...
Authors:Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLB
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BU of 8clb by Molmil
Colchicine bound to tubulin (T2R-TTL) complex
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLF
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BU of 8clf by Molmil
Z-SolQ2Br bound to tubulin (T2R-TTL) complex
Descriptor: 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLH
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BU of 8clh by Molmil
Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound to tubulin (T2R-TTL) complex
Descriptor: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL5
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BU of 8cl5 by Molmil
Lysozyme in matrix of lipidic cubic phase of monoolein (LCP)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ...
Authors:Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLC
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BU of 8clc by Molmil
Tubulin (T2R-TTL) complex
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLD
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BU of 8cld by Molmil
Ansamitocin P3 bound to tubulin (T2R-TTL) complex
Descriptor: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ...
Authors:Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL9
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BU of 8cl9 by Molmil
Tubulin-DARPin D1 complex
Descriptor: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wranik, M, Bertrand, Q, Weinert, T, Kepa, M.W, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLG
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BU of 8clg by Molmil
Epothilone A and Colchicine bound to tubulin (T2R-TTL) complex
Descriptor: CALCIUM ION, EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
Deposit date:2023-02-16
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
6S0L
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BU of 6s0l by Molmil
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-17
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6RNJ
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BU of 6rnj by Molmil
TR-SMX closed state structure (0-5ms) of bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, F, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-08
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
6RQO
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BU of 6rqo by Molmil
Steady-state-SMX activated state structure of bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
2RU8
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BU of 2ru8 by Molmil
DnaT C-terminal domain
Descriptor: Primosomal protein 1
Authors:Abe, Y, Tani, J, Fujiyama, S, Urabe, M, Sato, K, Aramaki, T, Katayama, T, Ueda, T.
Deposit date:2014-01-29
Release date:2014-10-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and mechanism of the primosome protein DnaT-functional structures for homotrimerization, dissociation of ssDNA from the PriB·ssDNA complex, and formation of the DnaT·ssDNA complex.
Febs J., 281, 2014
3O5Z
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BU of 3o5z by Molmil
Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R.
Deposit date:2010-07-28
Release date:2011-08-10
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit
Acta Crystallogr.,Sect.F, 67, 2011
4PXQ
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BU of 4pxq by Molmil
Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, D-glucuronyl C5 epimerase B
Authors:Ke, J, Qin, Y, Gu, X, Tan, J, Brunzelle, J.S, Xu, H.E, Ding, K.
Deposit date:2014-03-24
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
7F5G
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BU of 7f5g by Molmil
The crystal structure of RBD-Nanobody complex, DL4 (SA4)
Descriptor: ACETATE ION, GLYCEROL, Nanobody DL4, ...
Authors:Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
Deposit date:2021-06-22
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Isolation, characterization, and structure-based engineering of a neutralizing nanobody against SARS-CoV-2.
Int.J.Biol.Macromol., 209, 2022
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
Descriptor: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
Authors:Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
2M2Q
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BU of 2m2q by Molmil
Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia
Descriptor: Inhibitor cystine knot peptide MCh-1
Authors:He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N.
Deposit date:2013-01-01
Release date:2013-11-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013
2M2R
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BU of 2m2r by Molmil
Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia
Descriptor: Inhibitor cystine knot peptide MCh-2
Authors:He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N.
Deposit date:2013-01-01
Release date:2013-11-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013

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數據於2024-07-17公開中

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