2JR2
 
 | | Solution NMR structure of homodimer CPS_2611 from Colwellia psychrerythraea. Northeast Structural Genomics Consortium target CsR4. | | Descriptor: | UPF0352 protein CPS_2611 | | Authors: | Ramelot, T.A, Cort, J.R, Wang, H, Nwosu, C, Cunningham, K, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-19 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of homodimer CPS_2611 from Colwellia psychrerythraea.
To be Published
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2KMM
 | | Solution NMR structure of the TGS domain of PG1808 from Porphyromonas gingivalis. Northeast Structural Genomics Consortium Target PgR122A (418-481) | | Descriptor: | Guanosine-3',5'-bis(Diphosphate) 3'-pyrophosphohydrolase | | Authors: | Yang, Y, Ramelot, T.A, Cort, J.R, Lee, D, Ciccosanti, C, Hamilton, K, Nair, R, Rost, B, Acton, T.B, Xiao, R, Swapna, G, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-07-31 | | Release date: | 2009-11-10 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the TGS domain of PG1808 from
Porphyromonas gingivalis. Northeast Structural Genomics Consortium Target
PgR122A (418-481)
To be Published
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2KKO
 | | Solution NMR structure of the homodimeric winged helix-turn-helix DNA-binding domain (fragment 1-100) Mb0332 from Mycobacterium bovis, a possible ArsR-family transcriptional regulator. Northeast Structural Genomics Consortium Target MbR242E. | | Descriptor: | POSSIBLE TRANSCRIPTIONAL REGULATORY PROTEIN (POSSIBLY ARSR-FAMILY) | | Authors: | Ramelot, T.A, Cort, J.R, Wang, D, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-06-26 | | Release date: | 2009-08-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the homodimeric winged helix-turn-helix DNA-binding domain (fragment 1-100) Mb0332 from Mycobacterium bovis, a possible ArsR-family transcriptional regulator. Northeast Structural Genomics Consortium Target MbR242E.
To be Published
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2KJR
 | | Solution NMR structure of the N-terminal Ubiquitin-like Domain from Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast Structural Genomics Consortium Target FR629A (residues 8-92) | | Descriptor: | CG11242 | | Authors: | Ramelot, T.A, Cort, J.R, Shastry, R, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-06-08 | | Release date: | 2009-06-23 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the N-terminal Ubiquitin-like Domain from
Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast
Structural Genomics Consortium Target FR629A (residues 8-92)
To be Published
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2KON
 | | NMR solution structure of CV_2116 from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvT4(1-82) | | Descriptor: | Uncharacterized protein | | Authors: | Yang, Y, Ramelot, T.A, Cort, J.R, Garcia, M, Yee, A, Arrowsmith, C.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-09-24 | | Release date: | 2009-10-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of CV_2116 from Chromobacterium violaceum.Northeast Structural Genomics Consortium Target CvT4(1-82)
To be Published
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2KPI
 | | Solution NMR structure of Streptomyces coelicolor SCO3027 modeled with Zn+2 bound, Northeast Structural Genomics Consortium Target RR58 | | Descriptor: | Uncharacterized protein SCO3027, ZINC ION | | Authors: | Ramelot, T.A, Cort, J.R, Garcia, M, Yee, A, Arrowmith, C.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-02 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of Streptomyces coelicolor SCO3027 modeled with Zn+2 bound, Northeast Structural Genomics Consortium Target RR58
To be Published
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2KS0
 | | Solution NMR structure of the Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense, Northeast Structural Genomics Consortium Target DhR8C | | Descriptor: | Uncharacterized protein | | Authors: | Yang, Y, Ramelot, T.A, Cort, J.R, Wang, H, Ciccosanti, C, Foote, E.L, Jiang, M, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-12-23 | | Release date: | 2010-01-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Combining NMR and EPR methods for homodimer protein structure determination.
J.Am.Chem.Soc., 132, 2010
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3IYI
 | | P22 expanded head coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links | | Descriptor: | P22 coat protein in procapsid shells | | Authors: | Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S. | | Deposit date: | 2009-12-14 | | Release date: | 2010-03-31 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks
Structure, 18, 2010
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3IYH
 | | P22 procapsid coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links | | Descriptor: | Coat protein | | Authors: | Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S. | | Deposit date: | 2009-12-14 | | Release date: | 2010-03-31 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks
Structure, 18, 2010
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5QTT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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5QTU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups.
J.Med.Chem., 63, 2019
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5Q0D
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0F
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0H
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0G
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5Q0E
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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5EXN
 | | FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | | Authors: | Sheriff, S. | | Deposit date: | 2015-11-23 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
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5EXL
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5EXM
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5TKT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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5TKS
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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5TKU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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2L0C
 | | Solution NMR Structure of protein STY4237 (residues 36-120) from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR115 | | Descriptor: | Putative membrane protein | | Authors: | Cort, J.R, Lee, D, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Ramelot, T.A, Kennedy, M.A, Northeast Structural Genomics Consortium, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-06-30 | | Release date: | 2010-08-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of protein STY4237 (residues 36-120) from
Salmonella enterica, Northeast Structural Genomics Consortium Target SlR115
To be Published
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2L0D
 | | Solution NMR Structure of putative cell surface protein MA_4588 (272-376 domain) from Methanosarcina acetivorans, Northeast Structural Genomics Consortium Target MvR254A | | Descriptor: | Cell surface protein | | Authors: | Cort, J.R, Lee, D, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Ramelot, T.A, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-06-30 | | Release date: | 2010-08-25 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of putative cell surface protein MA_4588
(272-376 domain) from Methanosarcina acetivorans, Northeast Structural
Genomics Consortium Target MvR254A
To be Published
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4WXI
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