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6QNL
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BU of 6qnl by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
Authors:Dvinskis, E, Leitans, J, Tars, K.
Deposit date:2019-02-11
Release date:2020-03-04
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN6
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BU of 6qn6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
1ZSE
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BU of 1zse by Molmil
RNA stemloop from bacteriophage Qbeta complexed with an N87S mutant MS2 Capsid
Descriptor: Coat protein, RNA HAIRPIN
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-05-24
Release date:2006-05-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2
Structure, 14, 2006
2B2E
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BU of 2b2e by Molmil
RNA stemloop from bacteriophage MS2 complexed with an N87S,E89K mutant MS2 capsid
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-09-19
Release date:2006-05-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
2B2D
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BU of 2b2d by Molmil
RNA stemloop operator from bacteriophage QBETA complexed with an N87S,E89K mutant MS2 capsid
Descriptor: 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP*AP*AP*GP*AP*CP*AP*GP*CP*AP*U)-3', Coat protein
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-09-19
Release date:2006-05-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
2BS0
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BU of 2bs0 by Molmil
MS2 (N87AE89K mutant) - Variant Qbeta RNA hairpin complex
Descriptor: 5'-R(*AP*UP*GP*CP*AP*UP*GP*UP*CP*UP *AP*AP*GP*AP*CP*UP*GP*CP*AP*U)-3', COAT PROTEIN
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-05-13
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2BS1
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BU of 2bs1 by Molmil
MS2 (N87AE89K mutant) - Qbeta RNA hairpin complex
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-05-13
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2BNY
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BU of 2bny by Molmil
MS2 (N87A mutant) - RNA hairpin complex
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-04-06
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2BQ5
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BU of 2bq5 by Molmil
MS2 (N87AE89K mutant) - RNA hairpin complex
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *UP*AP*CP*CP*CP*AP*UP*GP*U)-3', COAT PROTEIN
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-04-27
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2.
Structure, 14, 2006
2B2G
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BU of 2b2g by Molmil
MS2 Wild-type RNA stemloop complexed with an N87S mutant MS2 capsid
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-09-19
Release date:2006-05-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
4ACS
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BU of 4acs by Molmil
Crystal structure of mutant GST A2-2 with enhanced catalytic efficiency with azathioprine
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE A2
Authors:Zhang, W, Moden, O, Tars, K, Mannervik, B.
Deposit date:2011-12-19
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based redesign of GST A2-2 for enhanced catalytic efficiency with azathioprine.
Chem.Biol., 19, 2012
4ANG
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BU of 4ang by Molmil
Small RNA phage PRR1 in complex with an RNA operator fragment
Descriptor: 5'-R(*CP*CP*AP*UP*AP*AP*GP*GP*AP*GP*CP*UP*AP*CP *CP*UP*AP*UP*GP*GP)-3', CALCIUM ION, COAT PROTEIN
Authors:Persson, M, Tars, K, Liljas, L.
Deposit date:2012-03-16
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Prr1 Coat Protein Binding to its RNA Translational Operator
Acta Crystallogr.,Sect.D, 69, 2013
5T87
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BU of 5t87 by Molmil
Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424
Descriptor: CdiA toxin, CdiI immunity protein
Authors:Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-09-06
Release date:2017-09-13
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016).
Proteins, 86 Suppl 1, 2018
7YZV
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BU of 7yzv by Molmil
Ryegrass mottle virus serine protease domain S159A mutant
Descriptor: RNA-directed RNA polymerase
Authors:Kalnins, G.
Deposit date:2022-02-21
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:VPg Impact on Ryegrass Mottle Virus Serine-like 3C Protease Proteolysis and Structure.
Int J Mol Sci, 24, 2023
3I69
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BU of 3i69 by Molmil
Apo Glutathione Transferase A1-1 GIMF-helix mutant
Descriptor: GLUTATHIONE, Glutathione S-transferase A1
Authors:Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
3I6A
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BU of 3i6a by Molmil
Human GST A1-1 GIMF mutant with Glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase A1
Authors:Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
7A0O
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BU of 7a0o by Molmil
NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5
Descriptor: Flagelliform spidroin variant 1
Authors:Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
7A0I
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BU of 7a0i by Molmil
NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 7.2
Descriptor: Flagelliform spidroin variant 1
Authors:Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N.
Deposit date:2020-08-09
Release date:2021-08-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence.
J.Biol.Chem., 298, 2022
8CO3
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BU of 8co3 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Leitans, J, Dvinskis, E, Tars, K.
Deposit date:2023-02-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
6QBI
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BU of 6qbi by Molmil
NMR structure of BB_P28, Borrelia burgdorferi outer surface lipoprotein
Descriptor: Surface protein, mlp lipoprotein family
Authors:Fridmanis, J, Otikovs, M, Brangulis, K, Jaudzems, K.
Deposit date:2018-12-21
Release date:2020-01-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR structure of Borrelia burgdorferi outer surface lipoprotein BBP28, a member of the mlp protein family.
Proteins, 2020
6QS0
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BU of 6qs0 by Molmil
NMR structure of BB_A03, Borrelia burgdorferi outer surface lipoprotein
Descriptor: Putative outer membrane protein BBA03
Authors:Fridmanis, J, Brangulis, K, Jaudzems, K.
Deposit date:2019-02-20
Release date:2020-03-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural and Functional Analysis of BBA03, Borrelia burgdorferi Competitive Advantage Promoting Outer Surface Lipoprotein.
Pathogens, 9, 2020
7PUU
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BU of 7puu by Molmil
Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0D
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BU of 7q0d by Molmil
Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-10-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUW
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BU of 7puw by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUV
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BU of 7puv by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021

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数据于2024-07-24公开中

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