7P3V
| B-Raf V600E structure bound to a new inhibitor | 分子名称: | 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 | 著者 | Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G. | 登録日 | 2021-07-08 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | 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 | 分子名称: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | 著者 | Kohler, A, Zimmerman, E, Schneider, M, Hurt, E, Zheng, N. | 登録日 | 2010-03-21 | 公開日 | 2010-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for assembly and activation of the heterotetrameric SAGA histone H2B deubiquitinase module. Cell(Cambridge,Mass.), 141, 2010
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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 | 分子名称: | ANNEXIN V, CALCIUM ION, SULFATE ION | 著者 | Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E. | 登録日 | 1991-10-17 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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1BBP
| MOLECULAR STRUCTURE OF THE BILIN BINDING PROTEIN (BBP) FROM PIERIS BRASSICAE AFTER REFINEMENT AT 2.0 ANGSTROMS RESOLUTION. | 分子名称: | BILIN BINDING PROTEIN, BILIVERDIN IX GAMMA CHROMOPHORE | 著者 | Huber, R, Schneider, M, Mayr, I, Mueller, R, Deutzmann, R, Suter, F, Zuber, H, Falk, H, Kayser, H. | 登録日 | 1990-09-19 | 公開日 | 1991-10-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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 | 分子名称: | ANNEXIN V, CALCIUM ION, SULFATE ION | 著者 | Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E. | 登録日 | 1991-10-17 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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 | 分子名称: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ... | 著者 | Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T. | 登録日 | 2014-06-17 | 公開日 | 2015-08-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | 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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5WHR
| Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | 分子名称: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | 登録日 | 2017-07-18 | 公開日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | 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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9API
| THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | 分子名称: | 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, ... | 著者 | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | 登録日 | 1988-09-08 | 公開日 | 1990-10-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism. Protein Eng., 2, 1989
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8CLA
| Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex | 分子名称: | 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | 著者 | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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8FDY
| Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FDZ
| Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FE0
| Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FDX
| AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Nyman, M.C, Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8GKS
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF291 inhibitor | 分子名称: | 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, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | 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 | 分子名称: | 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, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | 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 | 分子名称: | 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, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | 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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8GKY
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF359 inhibitor | 分子名称: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | 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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8GKZ
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF362 inhibitor | 分子名称: | GLYCINE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | 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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8GKW
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF359 inhibitor | 分子名称: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | 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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8CLF
| Z-SolQ2Br bound to tubulin (T2R-TTL) complex | 分子名称: | 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 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 | 分子名称: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | 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 | 分子名称: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 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 | 分子名称: | (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, ... | 著者 | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 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 | 分子名称: | (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, ... | 著者 | Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J. | 登録日 | 2023-02-16 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | 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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