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8F8E
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Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
著者Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-11-21
公開日2023-03-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
8PJI
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MLLT1 in complex with compound 10a
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ...
著者Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
登録日2023-06-23
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
5HFO
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BU of 5hfo by Molmil
CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE
分子名称: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
著者Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B.
登録日2016-01-07
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Role of Arginine 214 in the Substrate Specificity of OXA-48.
Antimicrob.Agents Chemother., 64, 2020
5HQD
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Acoustic injectors for drop-on-demand serial femtosecond crystallography
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
登録日2016-01-21
公開日2016-02-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5UWM
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Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17a
分子名称: (R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
著者Taylor, A.B, Cao, X, Hart, P.J.
登録日2017-02-21
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
J. Med. Chem., 60, 2017
6G4R
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BU of 6g4r by Molmil
Corynebacterium glutamicum OxyR C206S mutant, H2O2-bound
分子名称: 1,2-ETHANEDIOL, HYDROGEN PEROXIDE, Hydrogen peroxide-inducible genes activator, ...
著者Young, D.R, Pedre, B.P, Messens, J.M.
登録日2018-03-28
公開日2018-12-05
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1G0V
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BU of 1g0v by Molmil
THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ...
著者Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J.
登録日2000-10-09
公開日2001-04-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae.
J.Biol.Chem., 276, 2001
3KWV
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BU of 3kwv by Molmil
Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers
分子名称: CALCIUM ION, Lethal factor, Protective antigen PA-63
著者Feld, G.K, Kintzer, A.F, Krantz, B.A.
登録日2009-12-01
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers.
Nat.Struct.Mol.Biol., 17, 2010
7K9M
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Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine
分子名称: 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
6FXK
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Crystal Structure of full-length Human Lysyl Hydroxylase LH3
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
登録日2018-03-09
公開日2018-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
8A0J
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Crystal structure of the kinetoplastid kinetochore protein Trypanosoma congolense KKT2 divergent polo-box domain
分子名称: Uncharacterized protein TCIL3000_11_11110
著者Ishii, M, Ludzia, P, Marciano, G, Allen, W, Nerusheva, O, Akiyoshi, B.
登録日2022-05-27
公開日2022-06-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei.
Mol.Biol.Cell, 33, 2022
5L9U
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BU of 5l9u by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
登録日2016-06-11
公開日2016-09-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
6M9G
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BbvCI B2 dimer with Ta6Br14 clusters
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BROMIDE ION, ...
著者Shen, B.W, Stoddard, B.L.
登録日2018-08-23
公開日2018-11-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
5HG2
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BU of 5hg2 by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35
分子名称: GLYCEROL, Immunoglobulin G-binding protein G, MAGNESIUM ION
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016
4R47
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Racemic crystal structure of a bimolecular DNA G-quadruplex (P21/n)
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
7KCJ
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BU of 7kcj by Molmil
The crystal structure of the translation initiation factor EIF4E5 from Leishmania major
分子名称: Eukaryotic translation initiation factor 4E type 5
著者Lima, G.B, Guimaraes, B.G.
登録日2020-10-05
公開日2021-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献The translation initiation factor EIF4E5 from Leishmania: crystal structure and interacting partners.
Rna Biol., 18, 2021
4R5C
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Crystal structure of computational designed leucine rich repeats DLRR_E in space group of P212121
分子名称: 1,2-ETHANEDIOL, Leucine rich repeat protein
著者Shen, B.W, Stoddard, B.L.
登録日2014-08-21
公開日2015-01-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
8FFT
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BU of 8fft by Molmil
Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine
分子名称: Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION
著者Chen, P.Y.-T, Lima, S.T, Chekan, J.R, Moore, B.S.
登録日2022-12-10
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium.
Acs Catalysis, 13, 2023
6FNG
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.038 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
4BJH
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Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA)
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ...
著者Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R.
登録日2013-04-18
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus.
Bmc Biochem., 14, 2013
3HYM
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Insights into Anaphase Promoting Complex TPR subdomain assembly from a CDC26-APC6 structure
分子名称: Anaphase-promoting complex subunit CDC26, Cell division cycle protein 16 homolog
著者Wang, J, Dye, B.T, Rajashankar, K.R, Kurinov, I, Schulman, B.A.
登録日2009-06-22
公開日2009-08-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insights into anaphase promoting complex TPR subdomain assembly from a CDC26-APC6 structure.
Nat.Struct.Mol.Biol., 16, 2009
6C89
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NDM-1 Beta-Lactamase Exhibits Differential Active Site Sequence Requirements for the Hydrolysis of Penicillin versus Carbapenem Antibiotics
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Palzkill, T, Sun, Z, Sankaran, B.
登録日2018-01-24
公開日2018-12-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75006151 Å)
主引用文献Differential active site requirements for NDM-1 beta-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics.
Nat Commun, 9, 2018
5H71
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Structure of alginate-binding protein AlgQ2 in complex with an alginate trisaccharide
分子名称: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, AlgQ2, CALCIUM ION, ...
著者Uenishi, K, Kaneko, A, Maruyama, Y, Mikami, B, Murata, K, Hashimoto, W.
登録日2016-11-15
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献A solute-binding protein in the closed conformation induces ATP hydrolysis in a bacterial ATP-binding cassette transporter involved in the import of alginate
J. Biol. Chem., 292, 2017
7ELG
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LC3B modificated with a covalent probe
分子名称: 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
著者Fan, S, Wan, W.
登録日2021-04-10
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6FXB
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Bovine beta-lactoglobulin variant A at pH 4.0
分子名称: DI(HYDROXYETHYL)ETHER, Major allergen beta-lactoglobulin, NITRATE ION
著者Khan, S, Ipsen, R, Almdal, K, Svensson, B, Harris, P.
登録日2018-03-08
公開日2018-05-23
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Revealing the Dimeric Crystal and Solution Structure of beta-Lactoglobulin at pH 4 and Its pH and Salt Dependent Monomer-Dimer Equilibrium.
Biomacromolecules, 19, 2018

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