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6XR6
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BU of 6xr6 by Molmil
Abl 1b isoform active state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-11
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020
6XR7
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BU of 6xr7 by Molmil
Abl isoform 1b inactive1 state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-11
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020
6XRG
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BU of 6xrg by Molmil
Abl 1b isoform inactive2 state
Descriptor: Tyrosine-protein kinase ABL1
Authors:Xie, T, Saleh, T, Rossi, P, Kalodimos, C.G.
Deposit date:2020-07-12
Release date:2020-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational states dynamically populated by a kinase determine its function.
Science, 370, 2020
6AMW
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BU of 6amw by Molmil
Abl1b Regulatory Module 'Activating' conformation
Descriptor: Tyrosine-protein kinase ABL1
Authors:Kalodimos, C.G, Rossi, P, Saleh, T.
Deposit date:2017-08-11
Release date:2017-09-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Atomic view of the energy landscape in the allosteric regulation of Abl kinase.
Nat. Struct. Mol. Biol., 24, 2017
6AMV
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BU of 6amv by Molmil
Abl 1b Regulatory Module 'inhibiting state'
Descriptor: Tyrosine-protein kinase ABL1
Authors:Kalodimos, C.G, Saleh, T, Rossi, P.
Deposit date:2017-08-11
Release date:2017-09-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Atomic view of the energy landscape in the allosteric regulation of Abl kinase.
Nat. Struct. Mol. Biol., 24, 2017
3QSB
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BU of 3qsb by Molmil
Structure of E. coli polIIIbeta with (Z)-5-(1-((4'-Fluorobiphenyl-4-yl)methoxyimino)butyl)-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile
Descriptor: (1R,5R)-5-{(1Z)-N-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile, DNA polymerase III subunit beta
Authors:Wijffels, G, Johnson, W.M, Oakley, A.J, Turner, K, Epa, V.C, Briscoe, S.J, Polley, M, Liepa, A.J, Hofmann, A, Buchardt, J, Christensen, C, Prosselkov, P, Dalrymple, B.P, Alewood, P.F, Jennings, P.A, Dixon, N.E, Winkler, D.A.
Deposit date:2011-02-20
Release date:2011-06-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding inhibitors of the bacterial sliding clamp by design
J.Med.Chem., 54, 2011
1K2B
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BU of 1k2b by Molmil
Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN
Authors:Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T.
Deposit date:2001-09-26
Release date:2002-07-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
1K1T
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BU of 1k1t by Molmil
Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN, SULFATE ION
Authors:Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2001-09-25
Release date:2002-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
1K2C
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BU of 1k2c by Molmil
Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN
Authors:Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T.
Deposit date:2001-09-26
Release date:2002-07-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
1K1U
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BU of 1k1u by Molmil
Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN
Authors:Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T.
Deposit date:2001-09-25
Release date:2002-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
1MMI
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BU of 1mmi by Molmil
E. COLI DNA POLYMERASE BETA SUBUNIT
Descriptor: DNA polymerase III, beta chain
Authors:Oakley, A.J, Prosselkov, P, Wijffels, G, Beck, J.L, Wilce, M.C.J, Dixon, N.E.
Deposit date:2002-09-04
Release date:2003-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Flexibility revealed by the 1.85 A crystal structure of the beta sliding-clamp subunit of Escherichia coli DNA polymerase III.
Acta Crystallogr.,Sect.D, 59, 2003
2MS4
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BU of 2ms4 by Molmil
Cyclophilin a complexed with a fragment of crk-ii
Descriptor: Peptide, Peptidyl-prolyl cis-trans isomerase A
Authors:Jankowski, W, Saleh, T, Rossi, P, Kalodimos, C.
Deposit date:2014-07-22
Release date:2015-09-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Cyclophilin A promotes cell migration via the Abl-Crk signaling pathway.
Nat.Chem.Biol., 12, 2016
2NNP
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BU of 2nnp by Molmil
Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ...
Authors:Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2006-10-24
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
2NMZ
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BU of 2nmz by Molmil
Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE, SULFATE ION
Authors:Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2006-10-23
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
2NNK
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BU of 2nnk by Molmil
Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, CHLORIDE ION, ...
Authors:Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2006-10-24
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
2NMY
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BU of 2nmy by Molmil
Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, PROTEASE, ...
Authors:Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2006-10-23
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir.
Proteins, 67, 2007
2OA4
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BU of 2oa4 by Molmil
Solution NMR Structure: Northeast Structural Genomics Consortium Target SiR5
Descriptor: SiR5
Authors:Wang, L, Rossi, P, Chen, C.X, Nwosu, C, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Burkhard, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-12-14
Release date:2007-03-06
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target SiR5
To be Published
2K5W
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BU of 2k5w by Molmil
Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.
Descriptor: Hypothetical Cytosolic Protein BcR103A
Authors:Conover, K.M, Swapna, G, Rossi, P, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-30
Release date:2008-08-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of Putative Lipoprotein from Bacillus cereus Ordered Locus BC_2438. Northeast Structural Genomics Target BcR103A.
To be Published
2JRF
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BU of 2jrf by Molmil
Solution NMR structure of Tubulin polymerization-promoting protein family member 3 from Homo sapiens. Northeast Structural Genomics target HR387.
Descriptor: Tubulin polymerization-promoting protein family member 3
Authors:Aramini, J.M, Rossi, P, Shastry, R, Nwosu, C, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Rajan, P.K, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-25
Release date:2007-07-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution NMR structure of Tubulin polymerization-promoting protein family member 3 from Homo sapiens.
To be Published
2KCY
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BU of 2kcy by Molmil
SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D
Descriptor: 30S ribosomal protein S8e
Authors:Liu, G, Rossi, P, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B.C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-30
Release date:2009-01-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D
To be Published
2KWB
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BU of 2kwb by Molmil
Minimal Constraint Solution NMR Structure of Translationally-controlled tumor protein (TCTP) from C.elegans, Northeast Structural Genomics Consortium Target WR73
Descriptor: Translationally-controlled tumor protein homolog
Authors:Aramini, J.M, Rossi, P, Cort, J.R, Cooper, B, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-02
Release date:2010-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Minimal Constraint Solution NMR Structure of Translationally-controlled tumor protein (TCTP) from C.elegans, Northeast Structural Genomics Consortium Target WR73
To be Published
2JT1
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BU of 2jt1 by Molmil
Solution NMR structure of PefI (Plasmid-Encoded Fimbriae Regulatory) protein from Salmonella typhimurium. Northeast Structural Genomics target StR82
Descriptor: PefI protein
Authors:Aramini, J.M, Rossi, P, Wang, H, Nwosu, C, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-07-17
Release date:2007-10-09
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of the plasmid-encoded fimbriae regulatory protein PefI from Salmonella enterica serovar Typhimurium.
Proteins, 79, 2011
2JRM
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BU of 2jrm by Molmil
Solution NMR structure of ribosome modulation factor VP1593 from Vibrio parahaemolyticus. Northeast Structural Genomics target VpR55
Descriptor: Ribosome modulation factor
Authors:Tang, Y, Rossi, P, Swapna, G, Wang, H, Jiang, M, Cunningham, K, Owens, L, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-27
Release date:2007-07-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution NMR Structure of Ribosome Modulation Factor VP1593 from Vibrio parahaemolyticus.
To be Published
2JQN
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BU of 2jqn by Molmil
Solution NMR structure of CC0527 from Caulobacter crescentus. Northeast Structural Genomics Target CCR55
Descriptor: Hypothetical protein
Authors:Aramini, J.M, Rossi, P, Moseley, H.N.B, Wang, D, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-05
Release date:2007-07-03
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of CC0527 from Caulobacter crescentus
To be Published
2LL8
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BU of 2ll8 by Molmil
Solution NMR structure of the specialized holo-acyl carrier protein RPA2022 from Rhodopseudomonas palustris refined with NH RDCs, Northeast Structural Genomics Consortium Target RpR324
Descriptor: 4'-PHOSPHOPANTETHEINE, Specialized acyl carrier protein
Authors:Ramelot, T.A, Ni, S, Rossi, P, Yang, Y, Wang, H, Ciccosanti, C, Maglaqui, M, Janjua, H, Nair, R, Roset, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-10-31
Release date:2011-11-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations.
Biochemistry, 51, 2012

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数据于2024-09-25公开中

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