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8ORC
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Mus Musculus Acetylcholinesterase in complex with AL237
分子名称: 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Ekstrom, F.E, Linusson, A.
登録日2023-04-13
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enzyme Dynamics Determine Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes
To Be Published
4BG5
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BU of 4bg5 by Molmil
Lyme disease associated outer surface protein BBA65 from Borrelia burgdorferi
分子名称: BBA65
著者Brangulis, K, Petrovskis, I, Kazaks, A, Tars, K.
登録日2013-03-22
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献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
4BFS
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BU of 4bfs by Molmil
Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1a)
分子名称: N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE, PANTOTHENATE KINASE
著者Bjorkelid, C, Bergfors, T, Jones, T.A.
登録日2013-03-22
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank
J.Biol.Chem., 288, 2013
8OZ3
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BU of 8oz3 by Molmil
Crystal structure of scFv ATOR 1017 bound to human 4-1BB
分子名称: Single chain Fv, Tumor necrosis factor receptor superfamily member 9
著者Hakansson, M, Von Schantz, L, Rose, N.
登録日2023-05-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献ATOR-1017 (evunzekibart), an Fc-gamma receptor conditional 4-1BB agonist designed for optimal safety and efficacy, activates exhausted T cells in combination with anti-PD-1.
Cancer Immunol.Immunother., 72, 2023
8P43
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BU of 8p43 by Molmil
Structure of the MHC class Ib molecule Qa-1b in complex with Q001 peptide
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Qa-1b, ...
著者Sala, B.M, Achour, A.
登録日2023-05-19
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献MHC-E is a convergent checkpoint ligand for LILRB1 on macrophages and during inflammation for NKG2A on lymphocytes
To Be Published
4B4F
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BU of 4b4f by Molmil
Thermobifida fusca Cel6B(E3) co-crystallized with cellobiose
分子名称: BETA-1,4-EXOCELLULASE, CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Sandgren, M, Wu, M, Stahlberg, J, Karkehabadi, S, Mitchinson, C, Kelemen, B.R, Larenas, E.A, Hansson, H.
登録日2012-07-30
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of a Bacterial Cellobiohydrolase: The Catalytic Core of the Thermobifida Fusca Family Gh6 Cellobiohydrolase Cel6B.
J.Mol.Biol., 425, 2013
4AV3
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BU of 4av3 by Molmil
Crystal structure of Thermotoga Maritima sodium pumping membrane integral pyrophosphatase with metal ions in active site
分子名称: CALCIUM ION, K(+)-STIMULATED PYROPHOSPHATE-ENERGIZED SODIUM PUMP, MAGNESIUM ION
著者Kajander, T, Kogan, K, Kellosalo, J, Pokharel, K, Goldman, A.
登録日2012-05-23
公開日2012-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structure and Catalytic Cycle of a Sodium-Pumping Pyrophosphatase.
Science, 337, 2012
8Q8H
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BU of 8q8h by Molmil
Crystal Structure of Apo beta-D-GalNAcase from Niabella aurantiaca (Structure 2)
分子名称: SODIUM ION, SULFATE ION, beta-D-GalNAcase from Niabella aurantiaca DSM 17617
著者Morth, J.P, Moreno Prieto, E.S, Siebenhaar, S.
登録日2023-08-18
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization and structural study of a novel beta-N-acetylgalactosaminidase from Niabella aurantiaca.
Febs J., 291, 2024
4BBO
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BU of 4bbo by Molmil
Crystal structure of core-bradavidin
分子名称: ACETATE ION, BIOTIN, BLR5658 PROTEIN, ...
著者Airenne, T.T, Johnson, M.S, Maatta, J.A.E, Hytonen, V.H, Kulomaa, M.S.
登録日2012-09-27
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Core-Bradavidin
To be Published
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
分子名称: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-04-03
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BJ0
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BU of 4bj0 by Molmil
Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses
分子名称: CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ...
著者Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M.
登録日2013-04-15
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions.
Proteins, 82, 2014
4BDV
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BU of 4bdv by Molmil
CRYSTAL STRUCTURE OF A TRUNCATED B-DOMAIN HUMAN FACTOR VIII
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Svensson, L.A, Thim, L, Olsen, O.H, Nicolaisen, E.M.
登録日2012-10-08
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献Evaluation of the Metal Binding Sites in a Recombinant Coagulation Factor Viii Identifies Two Sites with Unique Metal Binding Properties.
Biol.Chem., 394, 2013
4BCW
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BU of 4bcw by Molmil
Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid
分子名称: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Tars, K, Leitans, J, Kazaks, A.
登録日2012-10-03
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
4BHF
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BU of 4bhf by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate
分子名称: 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-04-02
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4AXZ
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BU of 4axz by Molmil
Borrelia burgdorferi outer surface lipoprotein BBA73
分子名称: PUTATIVE ANTIGEN P35
著者Brangulis, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V, Tars, K.
登録日2012-06-15
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Characterization of the Borrelia Burgdorferi Outer Surface Protein Bba73 Implicates Dimerization as a Functional Mechanism.
Biochem.Biophys.Res.Commun., 434, 2013
1IWD
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BU of 1iwd by Molmil
Proposed Amino Acid Sequence and the 1.63 Angstrom X-ray Crystal Structure of a Plant Cysteine Protease Ervatamin B: Insight into the Structural Basis of its Stability and Substrate Specificity.
分子名称: ERVATAMIN B, THIOSULFATE
著者Chakrabarti, C, Biswas, S, Dattagupta, J.K.
登録日2002-05-02
公開日2003-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Proposed amino acid sequence and the 1.63 A X-ray crystal structure of a plant cysteine protease, ervatamin B: Some insights into the structural basis of its stability and substrate specificity
Proteins, 51, 2003
4BFC
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BU of 4bfc by Molmil
Crystal structure of the C-terminal CMP-Kdo binding domain of WaaA from Acinetobacter baumannii
分子名称: 3-DEOXY-D-MANNO-OCTULOSONIC-ACID TRANSFERASE, BETA-MERCAPTOETHANOL, SULFATE ION
著者Kimbung, Y.R, Hakansson, M, Logan, D, Wang, P.F, Schulz, M, Mamat, U, Woodard, R.W.
登録日2013-03-18
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the C-Terminal Cmp-Kdo Binding Domain of Waaa from Acinetobacter Baumannii
To be Published
4BF1
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BU of 4bf1 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
分子名称: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ...
著者Tars, K, Leitans, J, Zalubovskis, R.
登録日2013-03-13
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
4BG1
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Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride
分子名称: 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-22
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
3ZU1
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BU of 3zu1 by Molmil
Structure of LysB29(Nepsilon omega-carboxyheptadecanoyl) des(B30) Human Insulin
分子名称: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
著者Schluckebier, G, Whittingham, J.
登録日2011-07-13
公開日2011-08-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Lysb29(Nepsilon Omega-Carboxyheptadecanoyl) Des(B30) Human Insulin
To be Published
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
分子名称: 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-27
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-04-02
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
4BB0
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BU of 4bb0 by Molmil
Structure of a putative epoxide hydrolase Q244E mutant from Pseudomonas aeruginosa, with bound MFA.
分子名称: PROBABLE EPOXIDE HYDROLASE, SULFATE ION, fluoroacetic acid
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-17
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of a Putative Epoxide Hydrolase Mutant
To be Published
4B2F
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N-terminal deletion mutant of an outer surface protein BBA73 from Borrelia burgdorferi
分子名称: PUTATIVE ANTIGEN P35
著者Brangulis, K, Petrovskis, I, Kazaks, A, Tars, K.
登録日2012-07-15
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Characterization of the Borrelia Burgdorferi Outer Surface Protein Bba73 Implicates Dimerization as a Functional Mechanism.
Biochem.Biophys.Res.Commun., 434, 2013
3ZZ1
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Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, GLYCEROL
著者Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S.
登録日2011-08-31
公開日2012-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina.
J.Biol.Chem., 289, 2014

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