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1FX4
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BU of 1fx4 by Molmil
STRUCTURE ANALYSIS OF ADENYLATE CYCLASES FROM TRYPANOSOMA BRUCEI IN THEIR MONOMERIC STATE
分子名称: MAGNESIUM ION, RECEPTOR-TYPE ADENYLATE CYCLASE GRESAG 4.3
著者Bieger, B, Essen, L.O.
登録日2000-09-25
公開日2001-02-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of adenylate cyclases from Trypanosoma brucei in their monomeric state.
EMBO J., 20, 2001
8A5X
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BU of 8a5x by Molmil
Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373
分子名称: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide, Phosphatidylinositol 4-kinase type 2-beta,Endolysin
著者Klima, M, Boura, E.
登録日2022-06-16
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold.
Bioorg.Med.Chem.Lett., 76, 2022
7QRD
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BU of 7qrd by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_10-25
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, ...
著者Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
登録日2022-01-11
公開日2022-12-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CARM1 Transition State Mimics
To Be Published
8AE5
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BU of 8ae5 by Molmil
Crystal structure of human legumain in complex with macrocypin 1a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ...
著者Elamin, T, Brandstetter, H, Dall, E.
登録日2022-07-12
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
2DW5
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BU of 2dw5 by Molmil
Crystal structure of human peptidylarginine deiminase 4 in complex with N-alpha-benzoyl-N5-(2-fluoro-1-iminoethyl)-L-ornithine amide
分子名称: CALCIUM ION, N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE, Protein-arginine deiminase type-4, ...
著者Luo, Y, Arita, K, Sato, M, Thompson, P.R.
登録日2006-08-04
公開日2006-10-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitors and Inactivators of Protein Arginine Deiminase 4: Functional and Structural Characterization
Biochemistry, 45, 2006
3S9O
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BU of 3s9o by Molmil
The Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase showing N-terminal interactions in cis
分子名称: CHLORIDE ION, Focal adhesion kinase 1, SODIUM ION
著者Arold, S.T.
登録日2011-06-01
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational dynamics of the focal adhesion targeting domain control specific functions of focal adhesion kinase in cells.
J.Biol.Chem., 290, 2015
6L47
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BU of 6l47 by Molmil
Structure of the human sterol O-acyltransferase 1 in complex with CI-976
分子名称: 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide, CHOLESTEROL, Sterol O-acyltransferase 1
著者Chen, L, Guan, C, Niu, Y.
登録日2019-10-16
公開日2020-04-29
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into the inhibition mechanism of human sterol O-acyltransferase 1 by a competitive inhibitor.
Nat Commun, 11, 2020
6A60
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BU of 6a60 by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to GW4064 and 9cRA and SRC1
分子名称: (9cis)-retinoic acid, 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, ...
著者Wang, N, Liu, J.
登録日2018-06-25
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
2DEX
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BU of 2dex by Molmil
Crystal structure of human peptidylarginine deiminase 4 in complex with histone H3 N-terminal peptide including Arg17
分子名称: 10-mer peptide from histone H3, CALCIUM ION, Protein-arginine deiminase type IV, ...
著者Arita, K, Shimizu, T, Hashimoto, H, Hidaka, Y, Yamada, M, Sato, M.
登録日2006-02-18
公開日2006-04-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for histone N-terminal recognition by human peptidylarginine deiminase 4
Proc.Natl.Acad.Sci.Usa, 103, 2006
4MRA
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BU of 4mra by Molmil
Crystal structure of Gpb in complex with QUERCETIN
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D.
登録日2013-09-17
公開日2014-05-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Biochemical and biological assessment of the inhibitory potency of extracts from vinification byproducts of Vitis vinifera extracts against glycogen phosphorylase.
Food Chem.Toxicol., 67, 2014
1ZCP
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BU of 1zcp by Molmil
Crystal Structure of a catalytic site mutant E. coli TrxA (CACA)
分子名称: Thioredoxin 1
著者Collet, J.-F, Peisach, D, Bardwell, J.C, Xu, Z.
登録日2005-04-12
公開日2005-08-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of TrxA(CACA): Insights into the formation of a [2Fe-2S] iron-sulfur cluster in an Escherichia coli thioredoxin mutant
Protein Sci., 14, 2005
1ZD2
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BU of 1zd2 by Molmil
Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-ethanoic acid complex
分子名称: MAGNESIUM ION, N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, PHOSPHATE ION, ...
著者Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W.
登録日2005-04-14
公開日2006-03-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
1FR3
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BU of 1fr3 by Molmil
THE HIGH RESOLUTION STRUCTURE OF A MOLYBDATE BINDING PROTEIN FROM SPOROMUSA OVATA
分子名称: MOLYBDATE/TUNGSTATE BINDING PROTEIN, TUNGSTATE(VI)ION
著者Wagner, U.G, Stupperich, E, Kratky, C.
登録日2000-09-07
公開日2000-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the molybdate/tungstate binding protein mop from Sporomusa ovata.
Structure Fold.Des., 8, 2000
3NVQ
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BU of 3nvq by Molmil
Molecular mechanism of guidance cue recognition
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-C1, ...
著者Juo, Z, Liu, H, Shim, A, Focia, P, Chen, X, Garcia, C, He, X.
登録日2010-07-08
公開日2010-09-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Semaphorin-Plexin Recognition and Viral Mimicry from Sema7A and A39R Complexes with PlexinC1.
Cell(Cambridge,Mass.), 142, 2010
3FIS
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BU of 3fis by Molmil
THE MOLECULAR STRUCTURE OF WILD-TYPE AND A MUTANT FIS PROTEIN: RELATIONSHIP BETWEEN MUTATIONAL CHANGES AND RECOMBINATIONAL ENHANCER FUNCTION OR DNA BINDING
分子名称: FACTOR FOR INVERSION STIMULATION (FIS)
著者Yuan, H.S, Finkel, S.E, Feng, J-A, Johnson, R.C, Dickerson, R.E.
登録日1991-08-12
公開日1993-10-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The molecular structure of wild-type and a mutant Fis protein: relationship between mutational changes and recombinational enhancer function or DNA binding.
Proc.Natl.Acad.Sci.USA, 88, 1991
4I5N
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BU of 4i5n by Molmil
Structural mechanism of trimeric PP2A holoenzyme involving PR70: insight for Cdc6 dephosphorylation
分子名称: CALCIUM ION, MANGANESE (II) ION, Microcystin-LR (MCLR) bound form, ...
著者Wlodarchak, N, Satyshur, K.A, Guo, F, Xing, Y.
登録日2012-11-28
公開日2013-05-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Ca(2+)-dependent PP2A heterotrimer and insights into Cdc6 dephosphorylation.
Cell Res., 23, 2013
5BKC
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BU of 5bkc by Molmil
Crystal structure of AAD-1 in complex with (R)-diclofop, Mn(II), and 2-oxoglutarate
分子名称: (2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
8A4T
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BU of 8a4t by Molmil
crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Ibrahim, M, Hilgenfeld, R, Zhang, L.
登録日2022-06-13
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
1FSN
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BU of 1fsn by Molmil
X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE II
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-11
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
3EVV
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BU of 3evv by Molmil
Crystal Structure of Calcium bound dimeric GCAMP2 (#2)
分子名称: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
著者Wang, Q, Shui, B, Kotlikoff, M.I, Sondermann, H.
登録日2008-10-13
公開日2008-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Calcium Sensing by GCaMP2.
Structure, 16, 2008
7MOQ
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BU of 7moq by Molmil
The structure of the Tetrahymena thermophila outer dynein arm on doublet microtubule
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Docking complex 1 protein, ...
著者Kubo, S, Yang, S.K, Ichikawa, M, Bui, K.H.
登録日2021-05-03
公開日2021-07-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Remodeling and activation mechanisms of outer arm dyneins revealed by cryo-EM.
Embo Rep., 22, 2021
3W0E
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BU of 3w0e by Molmil
Structure of elastase inhibitor AFUEI (crystal form II)
分子名称: Elastase inhibitor AFUEI
著者Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M.
登録日2012-10-29
公開日2013-05-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus
J.Biol.Chem., 288, 2013
1ZH9
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carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-23
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
To be Published
3OIM
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BU of 3oim by Molmil
Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate
分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
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 (1.45 Å)
主引用文献Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
8AA5
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Cryo-EM structure of the strand transfer complex of the TnsB transposase (type V-K CRISPR-associated transposon)
分子名称: LE_PolyA, LE_Target, RE_PolyA, ...
著者Tenjo-Castano, F, Sofos, N, Lopez-Mendez, B, Stutzke, L.S, Fuglsang, A, Stella, S, Montoya, G.
登録日2022-06-30
公開日2022-10-19
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structure of the TnsB transposase-DNA complex of type V-K CRISPR-associated transposon.
Nat Commun, 13, 2022

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