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8ARL
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BU of 8arl by Molmil
Plasmodium vivax PVP01_0000100 TRAg domain
分子名称: Tryptophan-rich antigen
著者Kundu, P, Deane, J.E, Rayner, J.C.
登録日2022-08-17
公開日2023-07-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The structure of a Plasmodium vivax Tryptophan Rich Antigen domain suggests a lipid binding function for a pan-Plasmodium multi-gene family.
Nat Commun, 14, 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
7CRB
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BU of 7crb by Molmil
Cryo-EM structure of plant NLR RPP1 LRR-ID domain in complex with ATR1
分子名称: Avirulence protein ATR1, NAD+ hydrolase (NADase)
著者Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
登録日2020-08-13
公開日2020-12-16
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
8FYU
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BU of 8fyu by Molmil
Crystal structure of the human CHIP-TPR domain in complex with a 10mer acetylated tau peptide
分子名称: ACE-SER-SER-THR-GLY-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP
著者Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S.
登録日2023-01-26
公開日2023-08-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.84839141 Å)
主引用文献Phosphorylation of tau at a single residue inhibits binding to the E3 ubiquitin ligase, CHIP.
Nat Commun, 15, 2024
7DFV
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BU of 7dfv by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer core part
分子名称: NAD+ hydrolase (NADase)
著者Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
登録日2020-11-10
公開日2020-12-16
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
7CRC
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BU of 7crc by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ...
著者Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
登録日2020-08-13
公開日2020-12-16
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
7FBP
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BU of 7fbp by Molmil
FXIIa-cMCoFx1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1
著者Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K.
登録日2021-07-12
公開日2021-11-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
8OXW
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BU of 8oxw by Molmil
Transglutaminase 3 in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
8OXX
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BU of 8oxx by Molmil
Transglutaminase 3 in complex with inhibitor Z-don and DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, 5-OXO-L-NORLEUCINE, Antibody fab fragment heavy chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
8OXY
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BU of 8oxy by Molmil
Transglutaminase 3 without calcium in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
8OXV
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BU of 8oxv by Molmil
Transglutaminase 3 zymogen in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody Fab fragment Heavy chain, Antibody Fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
2I0H
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BU of 2i0h by Molmil
The structure of p38alpha in complex with an arylpyridazinone
分子名称: 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14
著者Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J.
登録日2006-08-10
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16, 2006
2I5S
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BU of 2i5s by Molmil
Crystal structure of onconase with bound nucleic acid
分子名称: 5'-D(*A*(DU)P*GP*A)-3', P-30 protein
著者Bae, E, Lee, J.E, Raines, R.T, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-08-25
公開日2006-09-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for catalysis by onconase.
J.Mol.Biol., 375, 2008
2IMD
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BU of 2imd by Molmil
Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase)
分子名称: (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID, (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID, 2-hydroxychromene-2-carboxylate isomerase, ...
著者Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N.
登録日2006-10-04
公開日2007-06-12
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献2-Hydroxychromene-2-carboxylic Acid Isomerase: A Kappa Class Glutathione Transferase from Pseudomonas putida
Biochemistry, 46, 2007
2IP2
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BU of 2ip2 by Molmil
Structure of the Pyocyanin Biosynthetic Protein PhzM
分子名称: Probable phenazine-specific methyltransferase
著者Ladner, J.E, Parsons, J.F, Robinson, H, Shi, K.
登録日2006-10-11
公開日2006-10-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional analysis of the pyocyanin biosynthetic protein PhzM from Pseudomonas aeruginosa.
Biochemistry, 46, 2007
2IMF
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BU of 2imf by Molmil
2-Hydroxychromene-2-carboxylate Isomerase: a Kappa Class Glutathione-S-Transferase from Pseudomonas putida
分子名称: 2-hydroxychromene-2-carboxylate isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID, ...
著者Thompson, L.C, Ladner, J.E, Codreanu, S.G, Harp, J, Gilliland, G.L, Armstrong, R.N.
登録日2006-10-04
公開日2007-06-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献2-Hydroxychromene-2-carboxylic acid isomerase: a kappa class glutathione transferase from Pseudomonas putida.
Biochemistry, 46, 2007
2IJH
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BU of 2ijh by Molmil
Crystal structure analysis of ColE1 ROM mutant F14W
分子名称: Regulatory protein rop
著者Ladner, J.E.
登録日2006-09-29
公開日2007-10-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献New crystal structures of ColE1 Rom and variants resulting from mutation of a surface exposed residue: Implications for RNA-recognition.
Proteins, 72, 2008
2IZS
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BU of 2izs by Molmil
Structure of casein kinase gamma 3 in complex with inhibitor
分子名称: CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, MAGNESIUM ION, ...
著者Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
登録日2006-07-26
公開日2006-08-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibitor Binding by Casein Kinases
To be Published
2IFY
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BU of 2ify by Molmil
Structure of Bacillus anthracis cofactor-independent phosphoglucerate mutase
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION
著者Nukui, M, Littlejohn, J.E, Jedrzejas, M.J.
登録日2006-09-21
公開日2006-10-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure and Molecular Mechanism of Bacillus anthracis Cofactor-Independent Phosphoglycerate Mutase: A Crucial Enzyme for Spores and Growing Cells of Bacillus Species.
Biophys.J., 92, 2007
2VJ5
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BU of 2vj5 by Molmil
Shigella flexneri MxiC
分子名称: PROTEIN MXIC
著者Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M.
登録日2007-12-06
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues.
J.Mol.Biol., 377, 2008
2VIW
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BU of 2viw by Molmil
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
分子名称: 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B
著者Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G.
登録日2007-12-05
公開日2008-01-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator.
J.Med.Chem., 51, 2008
2VB2
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BU of 2vb2 by Molmil
Crystal structure of Cu(I)CusF
分子名称: CATION EFFLUX SYSTEM PROTEIN CUSF, COPPER (II) ION, SULFATE ION
著者Xue, Y, Davis, A.V, Balakrishnan, G, Stasser, J.P, Staehlin, B.M, Focia, P, Spiro, T.G, Penner-Hahn, J.E, O'Halloran, T.V.
登録日2007-09-06
公開日2007-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cu(I) Recognition Via Cation-Pi and Methionine Interactions in Cusf.
Nat.Chem.Biol., 4, 2008
2V6L
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BU of 2v6l by Molmil
Molecular Model of a Type III Secretion System Needle
分子名称: MXIH
著者Deane, J.E, Roversi, P, Cordes, F.S, Johnson, S, Kenjale, R, Daniell, S, Booy, F, Picking, W.L, Picking, W.D, Blocker, A.J, Lea, S.M.
登録日2007-07-19
公開日2007-07-31
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (16 Å)
主引用文献Molecular model of a type III secretion system needle: Implications for host-cell sensing.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
2V7Q
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The structure of F1-ATPase inhibited by I1-60HIS, a monomeric form of the inhibitor protein, IF1.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE DELTA CHAIN, ...
著者Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2007-07-31
公開日2007-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How the Regulatory Protein, If1, Inhibits F1- ATPase from Bovine Mitochondria.
Proc.Natl.Acad.Sci.USA, 104, 2007
2VGD
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Crystal structure of environmental isolated GH11 in complex with xylobiose and feruloyl-arabino-xylotriose
分子名称: 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose, ENXYN11A, GLYCEROL, ...
著者Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J.
登録日2007-11-12
公開日2007-12-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases.
J.Mol.Biol., 375, 2008

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