6E3S
 
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist PT2385 | | Descriptor: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
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6E3T
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001 | | Descriptor: | (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
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6E3U
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Agonist M1001 | | Descriptor: | 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
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6E3V
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6E3W
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6E3X
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6E3Y
 | | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor | | Descriptor: | Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M. | | Deposit date: | 2018-07-16 | | Release date: | 2018-09-19 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor.
Nature, 561, 2018
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6E3Z
 | | Structure of Bace-1 in complex with Ligand 8 | | Descriptor: | Beta-secretase 1, N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide | | Authors: | Shaffer, P.L. | | Deposit date: | 2018-07-16 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and Chemical Development of JNJ-50138803, a Clinical Candidate BACE1 Inhibitor
Acs Symp.Ser., 1307, 2020
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6E40
 | | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat | | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2018-07-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.306 Å) | | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E41
 | | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an Epacadostat analog | | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2018-07-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E42
 | | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole | | Descriptor: | 4-(3-chlorophenyl)-1H-imidazole, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ... | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2018-07-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E43
 | | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a BMS-978587 analog | | Descriptor: | (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, BENZOIC ACID, Indoleamine 2,3-dioxygenase 1 | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2018-07-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E44
 | | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferric state | | Descriptor: | Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2018-07-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E45
 | | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferrous state | | Descriptor: | GLYCEROL, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ... | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2018-07-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E46
 | | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferrous heme and tryptophan | | Descriptor: | Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2018-07-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6E47
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6E48
 | | Crystal Structure of the Murine Norovirus VP1 P domain in complex with the CD300lf Receptor and Lithocholic Acid | | Descriptor: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Nelson, C.A, Fremont, D.H. | | Deposit date: | 2018-07-16 | | Release date: | 2018-09-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural basis for murine norovirus engagement of bile acids and the CD300lf receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6E49
 | | Pif1 peptide bound to PCNA trimer | | Descriptor: | ATP-dependent DNA helicase PIF1, Proliferating cell nuclear antigen | | Authors: | Buzovetsky, O, Kwon, Y, Pham, N.T, Kim, C, Ira, G, Sung, P, Xiong, Y. | | Deposit date: | 2018-07-17 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Role of the Pif1-PCNA Complex in Pol delta-Dependent Strand Displacement DNA Synthesis and Break-Induced Replication.
Cell Rep, 21, 2017
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6E4A
 | | Crystal structure of human BRD4(1) in complex with CN750 | | Descriptor: | 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2018-07-17 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6E4B
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6E4C
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | | Deposit date: | 2018-07-17 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
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6E4D
 | | Atomic structure of Mycobacterium tuberculosis DppA | | Descriptor: | Periplasmic dipeptide-binding lipoprotein DPPA, VAL-VAL-VAL-ALA | | Authors: | Ko, Y, Mitra, A, Niederweis, M, Cingolani, G. | | Deposit date: | 2018-07-17 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.252 Å) | | Cite: | Heme and hemoglobin utilization by Mycobacterium tuberculosis.
Nat Commun, 10, 2019
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6E4E
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6E4F
 | | Crystal structure of ARQ 531 in complex with the kinase domain of BTK | | Descriptor: | 1,2-ETHANEDIOL, 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol, IMIDAZOLE, ... | | Authors: | Eathiraj, S. | | Deposit date: | 2018-07-17 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | The BTK Inhibitor ARQ 531 Targets Ibrutinib-Resistant CLL and Richter Transformation.
Cancer Discov, 8, 2018
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6E4H
 | | Solution NMR Structure of the Colied-coil PALB2 Homodimer | | Descriptor: | Partner and localizer of BRCA2 | | Authors: | Song, F, Li, M, Liu, G, Swapna, G.V.T, Xia, B, Bunting, S.F, Montelione, G.T. | | Deposit date: | 2018-07-17 | | Release date: | 2018-10-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Antiparallel Coiled-Coil Interactions Mediate the Homodimerization of the DNA Damage-Repair Protein PALB2.
Biochemistry, 57, 2018
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