8CLB
| 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
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8CL6
| 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
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8CLH
| 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
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8CLF
| 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
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8CL5
| 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
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8CLD
| 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
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8CLC
| 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
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8CL9
| 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
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8CLG
| 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
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8CLA
| Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex | Descriptor: | 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free electron lasers To Be Published
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6B4W
| TTK in Complex with Inhibitor | Descriptor: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | Authors: | Delker, S, Chamberlain, P.P. | Deposit date: | 2017-09-27 | Release date: | 2017-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen. J. Med. Chem., 60, 2017
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6NO9
| PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | Descriptor: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ... | Authors: | Murray, J.M, Noland, C. | Deposit date: | 2019-01-15 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma. J. Med. Chem., 62, 2019
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3WG5
| 1510-N membrane-bound stomatin-specific protease K138A mutant in complex with a substrate peptide under heat treatment | Descriptor: | 441aa long hypothetical nfeD protein, CHLORIDE ION, GLYCEROL, ... | Authors: | Yokoyama, H, Fujii, S, Matsui, I. | Deposit date: | 2013-07-26 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biochemical analysis of a thermostable membrane-bound stomatin-specific protease. J.Synchrotron Radiat., 20, 2013
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8WOP
| Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, wild-type | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE | Authors: | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | Deposit date: | 2023-10-07 | Release date: | 2024-05-08 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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8WOV
| Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, G233A mutant | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE | Authors: | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | Deposit date: | 2023-10-07 | Release date: | 2024-05-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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8WOW
| Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, I160L/G233A mutant | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UDP-glucose 4-epimerase 2, ... | Authors: | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | Deposit date: | 2023-10-08 | Release date: | 2024-05-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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5O5W
| Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography | Descriptor: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Steffen, B, Weinert, T, Ermler, U, Standfuss, J. | Deposit date: | 2017-06-02 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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2KHA
| Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella | Descriptor: | Beta-1,3-glucan-binding protein | Authors: | Dai, H, Hiromasa, Y, Fabrick, J, Vandervelde, D, Kanost, M, Krishnamoorthi, R. | Deposit date: | 2009-03-29 | Release date: | 2010-03-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An initial event in the insect innate immune response: structural and biological studies of interactions between beta-1,3-glucan and the N-terminal domain of beta-1,3-glucan recognition protein Biochemistry, 52, 2013
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5CAX
| CRYSTAL STRUCTURE OF METHANOSARCINA ACETIVORANS METHANOREDOXIN | Descriptor: | ACETIC ACID, CADMIUM ION, Glutaredoxin, ... | Authors: | Yennawar, N.H, Yennawar, H.P, Ferry, G.J. | Deposit date: | 2015-06-30 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Structural and Biochemical Characterizations of Methanoredoxin from Methanosarcina acetivorans, a Glutaredoxin-Like Enzyme with Coenzyme M-Dependent Protein Disulfide Reductase Activity. Biochemistry, 55, 2016
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2N0W
| Mdmx-SJ212 | Descriptor: | 4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-17 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2N06
| Mdmx-298 | Descriptor: | 4-[[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-04 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2N14
| Mdmx-295 | Descriptor: | 4-({(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-20 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2N0U
| Mdmx-057 | Descriptor: | 4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile, Protein Mdm4 | Authors: | Grace, C.R, Kriwacki, R.W. | Deposit date: | 2015-03-17 | Release date: | 2016-01-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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2MWY
| Mdmx-p53 | Descriptor: | Cellular tumor antigen p53, Protein Mdm4 | Authors: | Grace, C.R. | Deposit date: | 2014-12-03 | Release date: | 2016-01-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery. J.Mol.Biol., 428, 2016
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8GJY
| Structure of a cGAS-like receptor Sp-cGLR1 from S. pistillata | Descriptor: | cGAS-like receptor 1 | Authors: | Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J. | Deposit date: | 2023-03-16 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | cGLRs are a diverse family of pattern recognition receptors in innate immunity. Cell, 186, 2023
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