6FNM
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib | Descriptor: | Ephrin type-B receptor 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.157 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNJ
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with an isomer of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.239 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNF
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712 | Descriptor: | 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6FNK
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-02-04 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.049 Å) | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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8DTQ
| Crystal Structure of Staphylococcus aureus pSK41 Cop | Descriptor: | CHLORIDE ION, Helix-turn-helix domain, SODIUM ION | Authors: | Walton, W.G, Eakes, T.C, Redinbo, M.R, McLaughlin, K.J. | Deposit date: | 2022-07-26 | Release date: | 2023-08-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | pSK41/pGO1-family conjugative plasmids of Staphylococcus aureus encode a cryptic repressor of replication. Plasmid, 128, 2023
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6PFY
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6PGK
| Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Fromme, R, Gisriel, C, Fromme, P. | Deposit date: | 2019-06-24 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Membrane protein megahertz crystallography at the European XFEL. Nat Commun, 10, 2019
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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: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Time-resolved serial femtosecond crystallography at the European XFEL. Nat.Methods, 17, 2020
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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: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Time-resolved serial femtosecond crystallography at the European XFEL. Nat.Methods, 17, 2020
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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: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Time-resolved serial femtosecond crystallography at the European XFEL. Nat.Methods, 17, 2020
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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: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Time-resolved serial femtosecond crystallography at the European XFEL. Nat.Methods, 17, 2020
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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: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Time-resolved serial femtosecond crystallography at the European XFEL. Nat.Methods, 17, 2020
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6NMF
| SFX structure of reduced cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-10 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NMP
| SFX structure of oxidized cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-11 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1J6X
| CRYSTAL STRUCTURE OF HELICOBACTER PYLORI LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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1J6V
| CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2 | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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1J6W
| CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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6NKN
| Time-resolved SFX structure of the PR intermediate of cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-07 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3MHK
| Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol | Descriptor: | 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, Tankyrase-2, ... | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
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5I6J
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4KDS
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3MHJ
| Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one | Descriptor: | 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ... | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
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5HJR
| Murine endoplasmic reticulum alpha-glucosidase II with bound covalent intermediate | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | Deposit date: | 2016-01-13 | Release date: | 2016-07-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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7K9P
| Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX. | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P. | Deposit date: | 2020-09-29 | Release date: | 2020-10-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser. Structure, 2022
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3CL9
| Structure of bifunctional TcDHFR-TS in complex with MTX | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ... | Authors: | Schormann, N, Senkovich, O, Chattopadhyay, D. | Deposit date: | 2008-03-18 | Release date: | 2009-01-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Proteins, 73, 2008
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