6NZR
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1H9N
| H119N CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | Authors: | Lesburg, C.A, Christianson, D.W. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity. Biochemistry, 36, 1997
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6NZQ
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1H9Q
| H119Q CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | Authors: | Lesburg, C.A, Christianson, D.W. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity. Biochemistry, 36, 1997
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6NZP
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7MCF
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-02 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Development of BET inhibitors as potential treatments for cancer: A search for structural diversity. Bioorg.Med.Chem.Lett., 44, 2021
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4FRS
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5XYF
| Crystal structure of the human TIN2-TPP1-TRF2 telomeric complex | Descriptor: | Adrenocortical dysplasia protein homolog, TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2 | Authors: | Hu, C, Chen, Y. | Deposit date: | 2017-07-07 | Release date: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Structural and functional analyses of the mammalian TIN2-TPP1-TRF2 telomeric complex. Cell Res., 27, 2017
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7MP6
| Neurofibromin homodimer | Descriptor: | Isoform I of Neurofibromin | Authors: | Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M. | Deposit date: | 2021-05-04 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6.25 Å) | Cite: | The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1. Nat.Struct.Mol.Biol., 28, 2021
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7MP5
| Autoinhibited neurofibrobmin | Descriptor: | Isoform I of Neurofibromin | Authors: | Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M. | Deposit date: | 2021-05-04 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1. Nat.Struct.Mol.Biol., 28, 2021
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7MOC
| Neurofibromin core | Descriptor: | Isoform I of Neurofibromin | Authors: | Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M. | Deposit date: | 2021-05-01 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.56 Å) | Cite: | The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1. Nat.Struct.Mol.Biol., 28, 2021
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3K9X
| X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | Descriptor: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | Authors: | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577 Bioorg.Med.Chem.Lett., 19, 2009
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5U36
| Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase | Descriptor: | Tyrosine--tRNA ligase | Authors: | Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria. Nat. Chem. Biol., 13, 2017
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3S41
| Glucokinase in complex with activator and glucose | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2011-05-18 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus MEDCHEMCOMM, 2, 2011
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6W50
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2020-03-12 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J.Med.Chem., 63, 2020
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8DY5
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8DY0
| Crystal Structure of spFv GLK1 HL | Descriptor: | spFv GLK1 HL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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8DY1
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8DY4
| Crystal Structure of spFv CAT2200 HL | Descriptor: | spFv CAT2200 HL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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8DY2
| Crystal Structure of spFv GLK1 | Descriptor: | SULFATE ION, spFv GLK1 LH | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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8DY3
| Crystal Structure of spFv GLK2 HL | Descriptor: | SULFATE ION, spFv GLK2 HL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.509 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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8J7B
| Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 2 (PSI-ST2) | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X. | Deposit date: | 2023-04-27 | Release date: | 2023-11-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions. Mol Plant, 16, 2023
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8J6Z
| Cryo-EM structure of the Arabidopsis thaliana photosystem I(PSI-LHCII-ST2) | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X. | Deposit date: | 2023-04-26 | Release date: | 2023-11-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions. Mol Plant, 16, 2023
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8J7A
| Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 1 (PSI-ST1) | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X. | Deposit date: | 2023-04-27 | Release date: | 2023-11-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions. Mol Plant, 16, 2023
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5QTW
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-11-13 | Release date: | 2020-01-29 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 30, 2020
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