7P3V
| B-Raf V600E structure bound to a new inhibitor | Descriptor: | Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide | Authors: | Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G. | Deposit date: | 2021-07-08 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding. J.Med.Chem., 65, 2022
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3M99
| Structure of the Ubp8-Sgf11-Sgf73-Sus1 SAGA DUB module | Descriptor: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | Authors: | Kohler, A, Zimmerman, E, Schneider, M, Hurt, E, Zheng, N. | Deposit date: | 2010-03-21 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for assembly and activation of the heterotetrameric SAGA histone H2B deubiquitinase module. Cell(Cambridge,Mass.), 141, 2010
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1BBP
| MOLECULAR STRUCTURE OF THE BILIN BINDING PROTEIN (BBP) FROM PIERIS BRASSICAE AFTER REFINEMENT AT 2.0 ANGSTROMS RESOLUTION. | Descriptor: | BILIN BINDING PROTEIN, BILIVERDIN IX GAMMA CHROMOPHORE | Authors: | Huber, R, Schneider, M, Mayr, I, Mueller, R, Deutzmann, R, Suter, F, Zuber, H, Falk, H, Kayser, H. | Deposit date: | 1990-09-19 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular structure of the bilin binding protein (BBP) from Pieris brassicae after refinement at 2.0 A resolution. J.Mol.Biol., 198, 1987
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1AVH
| CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | Authors: | Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E. | Deposit date: | 1991-10-17 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins. J.Mol.Biol., 223, 1992
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1AVR
| CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | Authors: | Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E. | Deposit date: | 1991-10-17 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins. J.Mol.Biol., 223, 1992
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4TRQ
| Crystal structure of Sac3/Thp1/Sem1 | Descriptor: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | Authors: | Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T. | Deposit date: | 2014-06-17 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression. Cell, 162, 2015
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6HJ2
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9API
| THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ... | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | Deposit date: | 1988-09-08 | Release date: | 1990-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism. Protein Eng., 2, 1989
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5WHR
| Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | Deposit date: | 2017-07-18 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate. J. Med. Chem., 60, 2017
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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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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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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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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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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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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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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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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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8CL8
| 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
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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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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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8GKS
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF291 inhibitor | Descriptor: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8GKU
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF355 inhibitor | Descriptor: | GLYCINE, N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8GKT
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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