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6FWG
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BU of 6fwg by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment
分子名称: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
1JO6
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BU of 1jo6 by Molmil
Solution structure of the cytoplasmic N-terminus of the BK beta-subunit KCNMB2
分子名称: potassium large conductance calcium-activated channel, subfamily M, beta member 2
著者Bentrop, D, Beyermann, M, Wissmann, R, Fakler, B.
登録日2001-07-27
公開日2001-11-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the "ball-and-chain" domain of KCNMB2, the beta 2-subunit of large conductance Ca2+- and voltage-activated potassium channels.
J.Biol.Chem., 276, 2001
6H9G
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BU of 6h9g by Molmil
Influenza A nucleoprotein docked into 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 1.
分子名称: Nucleoprotein, Polypeptide loop
著者Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Munier, S, Carlero, D, Naffakh, N, Ortin, J, Martin-Benito, J.
登録日2018-08-03
公開日2020-02-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
5CCC
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BU of 5ccc by Molmil
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Oyen, D, Wright, P.E.
登録日2015-07-01
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
5BWL
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BU of 5bwl by Molmil
Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, Coumarin-labelled succinyl peptide, NAD-dependent protein deacylase sirtuin-5, ...
著者Gai, W, Jiang, H, Liu, D.
登録日2015-06-08
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide
To be published
6HAL
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BU of 6hal by Molmil
Human carbonmonoxy hemoglobin SFX dataset
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I.
登録日2018-08-07
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
6FWM
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BU of 6fwm by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme
分子名称: (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-06
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6YV1
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BU of 6yv1 by Molmil
Structure of human b(0,+)AT1
分子名称: b(0,+)-type amino acid transporter 1
著者Wu, D, Safarian, S, Michel, H.
登録日2020-04-27
公開日2021-01-20
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for amino acid exchange by a human heteromeric amino acid transporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6FWQ
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BU of 6fwq by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose
分子名称: Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-07
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
5BX6
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BU of 5bx6 by Molmil
PKA in complex with a halogenated phthalazinone fragment compound.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-chlorophthalazin-1(2H)-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Narayanan, D, Alam, K.A, Engh, R.A.
登録日2015-06-08
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
6Z3K
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BU of 6z3k by Molmil
Structure of protective antibody 38-1-10A Fab
分子名称: 1,2-ETHANEDIOL, Heavy chain, Light Chain
著者Zhou, D, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-05-20
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
5BZZ
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BU of 5bzz by Molmil
Crystal structure of human phosphatase PTEN in its reduced state
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-11
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
5CFT
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BU of 5cft by Molmil
Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1
分子名称: Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ...
著者Rodionov, D, Bassenden, A.V, Berghuis, A.M.
登録日2015-07-08
公開日2016-03-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
6ZIZ
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BU of 6ziz by Molmil
CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Kessler, D, Fischer, G, Boettcher, J.
登録日2020-06-26
公開日2020-08-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
1HL6
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BU of 1hl6 by Molmil
A novel mode of RBD-protein recognition in the Y14-mago complex
分子名称: CG8781 PROTEIN, MAGO NASHI PROTEIN
著者Fribourg, S, Gatfield, D, Yao, W, Izaurralde, E, Conti, E.
登録日2003-03-13
公開日2003-05-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Novel Mode of Rbd-Protein Recognition in the Y14-Mago Complex
Nat.Struct.Biol., 10, 2003
5C0L
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BU of 5c0l by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2
分子名称: 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-12
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
6ZKL
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BU of 6zkl by Molmil
Complex I inhibited by rotenone, open1
分子名称: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6HI9
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BU of 6hi9 by Molmil
PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol
分子名称: 3-[6-(oxan-4-yl)pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Convery, M.A, Summers, D, Peace, S.
登録日2018-08-29
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
5C3K
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BU of 5c3k by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4
分子名称: (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-17
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5CLS
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BU of 5cls by Molmil
Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31a
分子名称: (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, CHLORIDE ION, CITRIC ACID, ...
著者Janowski, R, Miller, A.K, Niessing, D.
登録日2015-07-16
公開日2016-01-13
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
5ADY
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BU of 5ady by Molmil
Cryo-EM structures of the 50S ribosome subunit bound with HflX
分子名称: 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L10, ...
著者Zhang, Y, Mandava, C.S, Cao, W, Li, X, Zhang, D, Li, N, Zhang, Y, Zhang, X, Qin, Y, Mi, K, Lei, J, Sanyal, S, Gao, N.
登録日2015-08-25
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Hflx is a Ribosome Splitting Factor Rescuing Stalled Ribosomes Under Stress Conditions
Nat.Struct.Mol.Biol., 22, 2015
1HQW
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BU of 1hqw by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CONCANAVALIN A WITH A TRIPEPTIDE YPY
分子名称: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ...
著者Zhang, Z, Qian, M, Huang, Q, Jia, Y, Tang, Y, Wang, K, Cui, D, Li, M.
登録日2000-12-20
公開日2003-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the complex of concanavalin A and tripeptide
J.PROTEIN CHEM., 20, 2001
4ZRT
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BU of 4zrt by Molmil
PTP1BC215S bound to Nephrin peptide substrate
分子名称: CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ...
著者Selner, N.G, Bell, C.E, Pei, D.
登録日2015-05-12
公開日2015-06-24
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases.
Biochemistry, 53, 2014
6J7E
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BU of 6j7e by Molmil
Crystal Structure of Central domain of FleQ in complex with ATPgS and Mg
分子名称: GLYCEROL, MAGNESIUM ION, Nitrogen assimilation regulatory protein, ...
著者Banerjee, P, Chanchal, Jain, D.
登録日2019-01-18
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sensor I Regulated ATPase Activity of FleQ Is Essential for Motility to Biofilm Transition inPseudomonas aeruginosa.
Acs Chem.Biol., 14, 2019
6XKW
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BU of 6xkw by Molmil
R. capsulatus CIII2CIV bipartite super-complex (SC-2A) with CcoH/cy
分子名称: COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP, Cytochrome b, ...
著者Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
登録日2020-06-27
公開日2020-12-30
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021

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