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4WZV
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Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain
分子名称: (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ...
著者Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
登録日2014-11-20
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
5ESD
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Crystal Structure of M. tuberculosis MenD bound to ThDP and Mn2+
分子名称: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION, THIAMINE DIPHOSPHATE
著者Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N.
登録日2015-11-16
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
6H0B
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BU of 6h0b by Molmil
Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ...
著者de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R.
登録日2018-07-08
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
6XAR
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BU of 6xar by Molmil
Structure of CBL tyrosine kinase binding domain (TKBD) with C-terminal tail of Src-like kinase protein 2 (SLAP2)
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, Src-like-adapter 2
著者Wybenga-Groot, L.E, McGlade, C.J.
登録日2020-06-04
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献SLAP2 Adaptor Binding Disrupts c-CBL Autoinhibition to Activate Ubiquitin Ligase Function.
J.Mol.Biol., 433, 2021
6XIZ
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BU of 6xiz by Molmil
Crystal structure of multi-copper oxidase from Pediococcus acidilactici
分子名称: BENZAMIDINE, CHLORIDE ION, COPPER (II) ION, ...
著者Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A.
登録日2020-06-22
公開日2021-03-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
6BAF
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BU of 6baf by Molmil
Structure of the chromophore binding domain of Stigmatella aurantiaca phytochrome P1, wild-type
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Schmidt, M, Stojkovic, E.
登録日2017-10-12
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
6BAP
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BU of 6bap by Molmil
Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, T289H mutant
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Schmidt, M, Stojkovic, E.
登録日2017-10-14
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
5M7E
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BU of 5m7e by Molmil
Tubulin-BKM120 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
著者Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
登録日2016-10-27
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
6BAY
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BU of 6bay by Molmil
Stigmatella aurantiaca bacterial phytochrome P1, PAS-GAF-PHY T289H mutant, room temperature structure
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Schmidt, M, Stojkovic, E.
登録日2017-10-16
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
5MAF
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BU of 5maf by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
2HIO
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BU of 2hio by Molmil
HISTONE OCTAMER (CHICKEN), CHROMOSOMAL PROTEIN
分子名称: PROTEIN (HISTONE H2A), PROTEIN (HISTONE H2B), PROTEIN (HISTONE H3), ...
著者Arents, G, Moudrianakis, E.N.
登録日1999-06-15
公開日2000-01-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The nucleosomal core histone octamer at 3.1 A resolution: a tripartite protein assembly and a left-handed superhelix.
Proc.Natl.Acad.Sci.USA, 88, 1991
6HJX
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BU of 6hjx by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) 7'C pore mutant (L238C) in complex with nanobody 72
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE, ...
著者Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C.
登録日2018-09-04
公開日2019-10-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
6XKE
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BU of 6xke by Molmil
Structure of a mosquito complement inhibitor from Anopheles albimanus
分子名称: Albicin, BROMIDE ION
著者Andersen, J.F, Strayer, E.
登録日2020-06-26
公開日2021-05-05
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Salivary complement inhibitors from mosquitoes: Structure and mechanism of action.
J.Biol.Chem., 296, 2020
6XL7
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BU of 6xl7 by Molmil
Structure of a mosquito complement inhibitor from Anopheles freeborni
分子名称: CHLORIDE ION, SG7.AF, SULFATE ION
著者Andersen, J.F, Strayer, E.
登録日2020-06-28
公開日2021-05-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Salivary complement inhibitors from mosquitoes: Structure and mechanism of action.
J.Biol.Chem., 296, 2020
1GRT
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BU of 1grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1996-12-17
公開日1997-06-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
8OI8
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BU of 8oi8 by Molmil
Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the R183W mutation
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S.
登録日2023-03-22
公開日2023-08-16
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
5N7X
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BU of 5n7x by Molmil
CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE EWVHPQFEQKAK
分子名称: GLU-TRP-VAL-HIS-PRO-GLN-PHE-GLU-GLN-LYS-ALA-LYS Peptide, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-21
公開日2017-10-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
5N8B
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BU of 5n8b by Molmil
CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE AFPDYLAEYHGG
分子名称: ALA-PHE-PRO-ASP-TYR-LEU-ALA-GLU-TYR-HIS-GLY-GLY-NH2, Streptavidin
著者Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
登録日2017-02-23
公開日2017-10-04
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
6EUQ
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BU of 6euq by Molmil
MdfA(Q131R/L339E)
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACETATE ION, HEXANE, ...
著者Tam, H.K, Zomot, E, Bibi, E, Pos, K.M.
登録日2017-10-31
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
J. Mol. Biol., 430, 2018
8OK4
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BU of 8ok4 by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
分子名称: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K.
登録日2023-03-27
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
6US2
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BU of 6us2 by Molmil
MTH1 in complex with compound 5
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
著者Newby, Z.E.R, Lansdon, E.B.
登録日2019-10-24
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.80012655 Å)
主引用文献Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
8BU8
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BU of 8bu8 by Molmil
Double-motif Single-stranded Paranemic Crossover RNA Triangle (2PXT)
分子名称: RNA (354-MER)
著者Sampedro, N, Andersen, E.S, McRae, E.K.S.
登録日2022-11-30
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (6.56 Å)
主引用文献An RNA Paranemic Crossover Triangle as A 3D Module for Cotranscriptional Nanoassembly.
Small, 19, 2023
5NEV
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BU of 5nev by Molmil
CDK2/Cyclin A in complex with compound 73
分子名称: 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2
著者Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G.
登録日2017-03-12
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
5VJH
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BU of 5vjh by Molmil
Closed State CryoEM Reconstruction of Hsp104:ATPyS and FITC casein
分子名称: FITC casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
登録日2017-04-19
公開日2017-07-05
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
6HRH
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Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bailey, H.J, Shrestha, L, Rembeza, E, Newman, J, Kupinska, K, Diaz-saez, L, Kennedy, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-09-27
公開日2018-11-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2
To Be Published

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