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2WKY
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BU of 2wky by Molmil
Crystal structure of the ligand-binding core of GluR5 in complex with the agonist 4-AHCP
分子名称: 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ...
著者Naur, P, Gajhede, M, Kastrup, J.S.
登録日2009-06-18
公開日2009-07-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Glutamate Receptor Glur5 Agonist (S)-2-Amino-3-(3-Hydroxy-7,8-Dihydro-6H-Cyclohepta[D]Isoxazol-4-Yl)Propionic Acid and the 8-Methyl Analogue: Synthesis, Molecular Pharmacology, and Biostructural Characterization
J.Med.Chem., 52, 2009
4LB3
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BU of 4lb3 by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
8B97
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BU of 8b97 by Molmil
N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine
分子名称: Beta-trefoil domain of the LBL lectin, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M.
登録日2022-10-05
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor.
Int.J.Biol.Macromol., 233, 2023
8BDW
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BU of 8bdw by Molmil
Crystal structure of CnaB2 domain from Lactobacillus plantarum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ...
著者Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S.
登録日2022-10-20
公開日2023-02-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins.
Angew.Chem.Int.Ed.Engl., 62, 2023
3P6D
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BU of 3p6d by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with 3-(4-methoxy-3-methylphenyl) propionic acid
分子名称: 3-(4-methoxy-3-methylphenyl)propanoic acid, Fatty acid-binding protein, adipocyte
著者Gonzalez, J.M, Pozharski, E.
登録日2010-10-11
公開日2011-04-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
4KUW
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BU of 4kuw by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
分子名称: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
著者Ferraroni, M.
登録日2013-05-22
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
1GB1
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BU of 1gb1 by Molmil
A NOVEL, HIGHLY STABLE FOLD OF THE IMMUNOGLOBULIN BINDING DOMAIN OF STREPTOCOCCAL PROTEIN G
分子名称: PROTEIN G
著者Gronenborn, A.M, Clore, G.M.
登録日1991-05-15
公開日1993-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A novel, highly stable fold of the immunoglobulin binding domain of streptococcal protein G.
Science, 253, 1991
8BT1
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BU of 8bt1 by Molmil
YdaT transcription regulator (CII functional analog)
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Prolic-Kalinsek, M, Loris, R.
登録日2022-11-27
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.39788437 Å)
主引用文献Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
6YO4
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BU of 6yo4 by Molmil
Para-Carborane propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
5CDH
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BU of 5cdh by Molmil
Structure of Legionella pneumophila Histidine Acid Phosphatase complexed with L(+)-tartrate
分子名称: L(+)-TARTARIC ACID, Major acid phosphatase, PENTAETHYLENE GLYCOL
著者Tanner, J.J.
登録日2015-07-04
公開日2016-01-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure and tartrate inhibition of Legionella pneumophila histidine acid phosphatase.
Arch.Biochem.Biophys., 585, 2015
6YOK
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BU of 6yok by Molmil
Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
8BNV
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BU of 8bnv by Molmil
Crystal structure of Pif1 from Deferribacter desulfuricans in apo from
分子名称: AAA family ATPase, GLYCEROL, MAGNESIUM ION
著者Rety, S, Chen, W.F, Xi, X.G.
登録日2022-11-14
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
8BOG
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BU of 8bog by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7
分子名称: Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BDN
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BU of 8bdn by Molmil
VCB in complex with compound 23
分子名称: (2~{R})-3-methyl-1-[(2~{S},4~{R})-2-[(5~{R})-5-methyl-5-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-4~{H}-1,2,4-oxadiazol-3-yl]-4-oxidanyl-pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
2BO7
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BU of 2bo7 by Molmil
DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
分子名称: COBALT (II) ION, GUANOSINE-5'-DIPHOSPHATE, MANNOSYLGLYCERATE SYNTHASE
著者Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
登録日2005-04-08
公開日2005-06-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural dissection and high-throughput screening of mannosylglycerate synthase.
Nat. Struct. Mol. Biol., 12, 2005
5CGZ
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BU of 5cgz by Molmil
Crystal structure of GalB, the 4-carboxy-2-hydroxymuconate hydratase, from Pseuodomonas putida KT2440
分子名称: 4-oxalmesaconate hydratase, GLYCEROL, ZINC ION
著者Mazurkewich, S, Brott, A.S, Kimber, M.S, Seah, S.Y.K.
登録日2015-07-09
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural and Kinetic Characterization of the 4-Carboxy-2-hydroxymuconate Hydratase from the Gallate and Protocatechuate 4,5-Cleavage Pathways of Pseudomonas putida KT2440.
J.Biol.Chem., 291, 2016
4ANJ
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BU of 4anj by Molmil
MYOSIN VI (MDinsert2-GFP fusion) PRE-POWERSTROKE STATE (MG.ADP.AlF4)
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CALMODULIN, ...
著者Menetrey, J, Isabet, T, Ropars, V, Mukherjea, M, Pylypenko, O, Liu, X, Perez, J, Vachette, P, Sweeney, H.L, Houdusse, A.M.
登録日2012-03-19
公開日2012-10-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin Vi.
Mol.Cell, 48, 2012
8BHE
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BU of 8bhe by Molmil
K141H and S142H double mutant of hGSTA1-1
分子名称: Glutathione S-transferase A1
著者Papageorgiou, A.C, Poudel, N.
登録日2022-10-31
公開日2023-03-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A Key Role in Catalysis and Enzyme Thermostability of a Conserved Helix H5 Motif of Human Glutathione Transferase A1-1.
Int J Mol Sci, 24, 2023
6YEI
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Arabidopsis thaliana glutamate dehydrogenase isoform 1 in complex with NAD
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Ruszkowski, M, Grzechowiak, M, Jaskolski, M.
登録日2020-03-24
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Studies of Glutamate Dehydrogenase (Isoform 1) FromArabidopsis thaliana, an Important Enzyme at the Branch-Point Between Carbon and Nitrogen Metabolism.
Front Plant Sci, 11, 2020
6YLG
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BU of 6ylg by Molmil
Rix1-Rea1 pre-60S particle - 60S core, body 1 (rigid body refinement)
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Kater, L, Beckmann, R.
登録日2020-04-07
公開日2020-07-29
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Construction of the Central Protuberance and L1 Stalk during 60S Subunit Biogenesis.
Mol.Cell, 79, 2020
8BHC
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K141H and S142H double mutant of hGSTA1-1
分子名称: Glutathione S-transferase A1
著者Papageorgiou, A.C, Poudel, N.
登録日2022-10-31
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A Key Role in Catalysis and Enzyme Thermostability of a Conserved Helix H5 Motif of Human Glutathione Transferase A1-1.
Int J Mol Sci, 24, 2023
4IWK
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BU of 4iwk by Molmil
Crystal structure of iron soaked (overnight) ferritin from Pseudo-nitzschia multiseries
分子名称: FE (III) ION, Ferritin
著者Pfaffen, S, Murphy, M.E.P.
登録日2013-01-23
公開日2013-03-20
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanism of ferrous iron binding and oxidation by ferritin from a pennate diatom.
J.Biol.Chem., 288, 2013
6C7W
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BU of 6c7w by Molmil
Carbonic anhydrase 2 in complex with [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE inhibitor
分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION, ...
著者Peat, T.S, Mujumdar, P, Poulsen, S.A.
登録日2018-01-23
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
8BFF
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Human PPARgamma in complex with MINCH bound to the AF-2 sub-pocket
分子名称: (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma
著者Useini, A, Straeter, N.
登録日2022-10-25
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH.
Environ Int, 173, 2023
3OIK
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Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate
分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ...
著者Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
登録日2010-08-19
公開日2011-07-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011

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