6E1C
 
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6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | 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: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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6GJT
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5OV7
 | | tubulin - rigosertib complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Menchon, G, Prota, A.E, Steinmetz, M, Jost, M. | | Deposit date: | 2017-08-28 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Combined CRISPRi/a-Based Chemical Genetic Screens Reveal that Rigosertib Is a Microtubule-Destabilizing Agent.
Mol. Cell, 68, 2017
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4G79
 | | Structure a C. elegans SAS-6 variant | | Descriptor: | GLYCEROL, Spindle assembly abnormal protein 6, TETRAETHYLENE GLYCOL | | Authors: | Erat, M.C, Vakonakis, I. | | Deposit date: | 2012-07-20 | | Release date: | 2013-06-19 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GFA
 | | N-terminal coiled-coil dimer of C.elegans SAS-6, crystal form A | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Spindle assembly abnormal protein 6 | | Authors: | Erat, M.C, Vakonakis, I. | | Deposit date: | 2012-08-03 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GV2
 | | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0354 | | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
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4GV4
 | | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0328 | | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
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4GV0
 | | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355 | | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
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4GEU
 | | Structure of a stabilised ceSAS-6 dimer | | Descriptor: | GLYCEROL, Spindle assembly abnormal protein 6, TETRAETHYLENE GLYCOL | | Authors: | Erat, M.C, Vakonakis, I. | | Deposit date: | 2012-08-02 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4H9G
 | | Probing EF-Tu with a very small brominated fragment library identifies the CCA pocket | | Descriptor: | 5-bromofuran-2-carboxylic acid, AMMONIUM ION, Elongation factor Tu-A, ... | | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R.H, Skrydstrup, T, Morth, J.P, Nissen, P. | | Deposit date: | 2012-09-24 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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4GV7
 | | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | | Descriptor: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2012-08-30 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3
Acs Chem.Biol., 8, 2013
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4GFC
 | | N-terminal coiled-coil dimer of C.elegans SAS-6, crystal form B | | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Spindle assembly abnormal protein 6, ... | | Authors: | Erat, M.C, Vakonakis, I. | | Deposit date: | 2012-08-03 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GEX
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4J6J
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4J6M
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4J6P
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4JRA
 | | CRYSTAL STRUCTURE OF THE BOTULINUM NEUROTOXIN A RECEPTOR-BINDING DOMAIN IN COMPLEX WITH THE LUMINAL DOMAIN Of SV2C | | Descriptor: | Botulinum neurotoxin type A, CHLORIDE ION, SODIUM ION, ... | | Authors: | Benoit, R.M, Frey, D, Wieser, M.M, Jaussi, R, Schertler, G.F.X, Capitani, G, Kammerer, R.A. | | Deposit date: | 2013-03-21 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for recognition of synaptic vesicle protein 2C by botulinum neurotoxin A.
Nature, 505, 2014
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4J6L
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6RJ8
 | | Structure of the alpha-beta hydrolase CorS from Tabernathe iboga | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2019-04-26 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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8BPP
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8BPQ
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8BZP
 | | JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | | Descriptor: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | | Authors: | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | | Deposit date: | 2022-12-15 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.
J.Med.Chem., 66, 2023
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8CL7
 | | 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
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8CLE
 | | 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
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