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6RJW
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BU of 6rjw by Molmil
Crystal structure of the N-terminal domain of Lyme disease agent Borrelia burgdorferi major virulence factor BB0323 (Se-Met data)
Descriptor: LysM domain protein
Authors:Brangulis, K, Akopjana, I, Kazaks, A, Tars, K.
Deposit date:2019-04-29
Release date:2019-09-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of the N-terminal domain of the major virulence factor BB0323 from the Lyme disease agent Borrelia burgdorferi.
Acta Crystallogr D Struct Biol, 75, 2019
4BG1
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BU of 4bg1 by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride
Descriptor: 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-03-22
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BGM
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BU of 4bgm by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride
Descriptor: 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-03-27
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BHG
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BU of 4bhg by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoate
Descriptor: 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-04-02
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1-Dimethylhydrazin-1-Ium-2-Yl)Propanoate
To be Published
4B2F
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BU of 4b2f by Molmil
N-terminal deletion mutant of an outer surface protein BBA73 from Borrelia burgdorferi
Descriptor: PUTATIVE ANTIGEN P35
Authors:Brangulis, K, Petrovskis, I, Kazaks, A, Tars, K.
Deposit date:2012-07-15
Release date:2013-05-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Characterization of the Borrelia Burgdorferi Outer Surface Protein Bba73 Implicates Dimerization as a Functional Mechanism.
Biochem.Biophys.Res.Commun., 434, 2013
4BGK
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BU of 4bgk by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate
Descriptor: GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-03-27
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BG5
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BU of 4bg5 by Molmil
Lyme disease associated outer surface protein BBA65 from Borrelia burgdorferi
Descriptor: BBA65
Authors:Brangulis, K, Petrovskis, I, Kazaks, A, Tars, K.
Deposit date:2013-03-22
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural analysis of the outer surface proteins from Borrelia burgdorferi paralogous gene family 54 that are thought to be the key players in the pathogenesis of Lyme disease
J.Struct.Biol., 2020
4BOD
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BU of 4bod by Molmil
Complement regulator acquiring outer surface protein BbCRASP-4 or ErpC from Borrelia burgdorferi
Descriptor: ERPC
Authors:Brangulis, K, Petrovskis, I, Kazaks, A, Baumanis, V, Tars, K.
Deposit date:2013-05-18
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal Structures of the Erp Protein Family Members Erpp and Erpc from Borrelia Burgdorferi Reveal the Reason for Different Affinities for Complement Regulator Factor H.
Biochim.Biophys.Acta, 1854, 2015
4C5W
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BU of 4c5w by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate
Descriptor: GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-09-16
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BXM
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BU of 4bxm by Molmil
Complement regulator acquiring outer surface protein BbCRASP-4 or ErpC from Borrelia burgdorferi
Descriptor: ERPC
Authors:Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Tars, K.
Deposit date:2013-07-13
Release date:2014-07-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures of the Erp Protein Family Members Erpp and Erpc from Borrelia Burgdorferi Reveal the Reason for Different Affinities for Complement Regulator Factor H.
Biochim.Biophys.Acta, 1854, 2015
4AXZ
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BU of 4axz by Molmil
Borrelia burgdorferi outer surface lipoprotein BBA73
Descriptor: PUTATIVE ANTIGEN P35
Authors:Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V, Tars, K.
Deposit date:2012-06-15
Release date:2013-05-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Characterization of the Borrelia Burgdorferi Outer Surface Protein Bba73 Implicates Dimerization as a Functional Mechanism.
Biochem.Biophys.Res.Commun., 434, 2013
4BHI
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BU of 4bhi by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate
Descriptor: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-04-03
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4CBE
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BU of 4cbe by Molmil
Crystal structure of complement factors H and FHL-1 binding protein BBH06 or CRASP-2 from Borrelia burgdorferi (Native)
Descriptor: COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 2 (CRASP-2)
Authors:Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Tars, K.
Deposit date:2013-10-13
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Characterization of Cspz, a Complement Regulator Factor H and Fhl-1 Binding Protein from Borrelia Burgdorferi.
FEBS J., 281, 2014
4BHF
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BU of 4bhf by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate
Descriptor: 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-04-02
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4ALY
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BU of 4aly by Molmil
Borrelia burgdorferi outer surface lipoprotein BBA64
Descriptor: P35 ANTIGEN, SULFATE ION
Authors:Brangulis, K, Tars, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V.
Deposit date:2012-03-06
Release date:2013-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of an Outer Surface Lipoprotein Bba64 from the Lyme Disease Agent Borrelia Burgdorferi which is Critical to Ensure Infection After a Tick Bite
Acta Crystallogr.,Sect.D, 69, 2013
4D53
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BU of 4d53 by Molmil
Outer surface protein BB0689 from Borrelia burgdorferi
Descriptor: BB0689
Authors:Brangulis, K, Petrovskis, I, Kazaks, A, Tars, K.
Deposit date:2014-11-02
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Analysis of Bb0689 from Borrelia Burgdorferi, a Member of the Bacterial CAP Superfamily.
J.Struct.Biol., 192, 2015
7PP9
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BU of 7pp9 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K, Dvinskis, E.
Deposit date:2021-09-13
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 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
5MJN
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BU of 5mjn by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide
Descriptor: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations.
Bioorg. Med. Chem., 25, 2017
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
8CO0
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BU of 8co0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-02-25
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.3 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
8Q4K
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BU of 8q4k by Molmil
Crystal structure of Borrelia burgdorferi BB0158
Descriptor: S2 lipoprotein, SULFATE ION
Authors:Brangulis, K, Tars, K.
Deposit date:2023-08-07
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of chromosomally encoded outer surface lipoprotein BB0158 from Borrelia burgdorferi sensu stricto.
Ticks Tick Borne Dis, 15, 2024
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
7POM
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BU of 7pom by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K.
Deposit date:2021-09-09
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 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

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数据于2024-07-24公开中

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