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8E1T
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BU of 8e1t by Molmil
Asp1 kinase in complex with ADPNP Mg IP7
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-11
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1J
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BU of 8e1j by Molmil
Asp1 kinase in complex with 1,5-IP8
分子名称: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-10
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1V
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Asp1 kinase in complex with ADPNP Mg IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-11
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
4D4M
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BU of 4d4m by Molmil
human PFKFB3 in complex with a pyrrolopyrimidone compound
分子名称: 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ...
著者Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
登録日2014-10-29
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
4D4J
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human PFKFB3 in complex with a pyrrolopyrimidone compound
分子名称: 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ...
著者Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J.
登録日2014-10-29
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
3ZT7
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BU of 3zt7 by Molmil
GlgE isoform 1 from Streptomyces coelicolor with beta-cyclodextrin and maltose bound
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
3ZT5
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GlgE isoform 1 from Streptomyces coelicolor with maltose bound
分子名称: PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
3ZT6
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BU of 3zt6 by Molmil
GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin and maltose bound
分子名称: Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
5EPH
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BU of 5eph by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Imipenem
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Pozzi, C, Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S.
登録日2015-11-11
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
411D
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BU of 411d by Molmil
DUPLEX [5'-D(GCGTA+TACGC)]2 WITH INCORPORATED 2'-O-METHOXYETHYL RIBONUCLEOSIDE
分子名称: DNA (5'-D(*GP*CP*GP*TP*AP*(T39)P*AP*CP*GP*C)-3')
著者Tereshko, V, Portmann, S, Tay, E.C, Martin, P, Natt, F, Altmann, K.H, Egli, M.
登録日1998-06-30
公開日1998-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Correlating structure and stability of DNA duplexes with incorporated 2'-O-modified RNA analogues.
Biochemistry, 37, 1998
4A0W
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BU of 4a0w by Molmil
model built against symmetry-free cryo-EM map of TRiC-ADP-AlFx
分子名称: T-COMPLEX PROTEIN 1 SUBUNIT BETA
著者Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
登録日2011-09-13
公開日2012-02-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (13.9 Å)
主引用文献Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
4AO9
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BU of 4ao9 by Molmil
Biochemical properties and crystal structure of a novel beta- phenylalanine aminotransferase from Variovorax paradoxus
分子名称: BETA-PHENYLALANINE AMINOTRANSFERASE, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE
著者Crismaru, C.G, Wybenga, G.G, Szymanski, W, Wijma, H.J, Wu, B, deWildeman, S, Poelarends, G.J, Dijkstra, B.W, Janssen, D.B.
登録日2012-03-25
公開日2012-10-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biochemical Properties and Crystal Structure of a Novel Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus
Appl.Environ.Microbiol., 79, 2013
4A13
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BU of 4a13 by Molmil
model refined against symmetry-free cryo-EM map of TRiC-ADP
分子名称: T-COMPLEX PROTEIN 1 SUBUNIT BETA
著者Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
登録日2011-09-13
公開日2012-02-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (11.3 Å)
主引用文献Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012
5M7Q
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BU of 5m7q by Molmil
Engineering the Thermostability of Nanobodies - NbD2
分子名称: CHLORIDE ION, MAGNESIUM ION, Nanobody NbD2, ...
著者Soler, N, Kunz, P, Muyldermans, S.
登録日2016-10-28
公開日2016-11-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering the Thermostability of Nanobodies
To be published
4AOE
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BU of 4aoe by Molmil
Biomphalaria glabrata Acetylcholine-binding protein type 2 (BgAChBP2)
分子名称: ACETYLCHOLINE-BINDING PROTEIN TYPE 2
著者Saur, M, Moeller, V, Kapetanopoulos, K, Braukmann, S, Gebauer, W, Tenzer, S, Markl, J.
登録日2012-03-26
公開日2012-08-29
最終更新日2018-10-03
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Acetylcholine-Binding Protein in the Hemolymph of the Planorbid Snail Biomphalaria Glabrata is a Pentagonal Dodecahedron (60 Subunits)
Plos One, 7, 2012
8TG5
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BU of 8tg5 by Molmil
tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with branched 2'-PO4 RNA
分子名称: (2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name), CHLORIDE ION, POTASSIUM ION, ...
著者Jacewicz, A, Dantuluri, S, Shuman, S.
登録日2023-07-12
公開日2024-06-05
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
5NJW
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BU of 5njw by Molmil
Crystal Structure of BJP-1 metallo beta-lactamase in complex with boric acid
分子名称: 1,2-ETHANEDIOL, BORIC ACID, Blr6230 protein, ...
著者Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S.
登録日2017-03-29
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Inorg.Chim.Acta., 2017
4B7P
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BU of 4b7p by Molmil
Structure of HSP90 with NMS-E973 inhibitor bound
分子名称: 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Fogliatto, G, Gianellini, L, Brasca, M.G, Casale, E, Ballinari, D, Ciomei, M, Degrassi, A, De Ponti, A, Germani, M, Guanci, M, Paolucci, M, Polucci, P, Russo, M, Sola, F, Valsasina, B, Visco, C, Zuccotto, F, Donati, D, Felder, E, Galvani, A, Pesenti, E, Mantegani, S, Isacchi, A.
登録日2012-08-21
公開日2013-05-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nms-E973, a Novel Synthetic Inhibitor of Hsp90 with Activity in Models of Drug Resistance to Targeted Agents, Including Intracranial Metastases.
Clin.Cancer Res., 19, 2013
6B46
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BU of 6b46 by Molmil
Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF1
分子名称: Anti-CRISPR protein AcrF1, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy3, ...
著者Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S.
登録日2017-09-25
公開日2017-10-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
3ZST
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BU of 3zst by Molmil
GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin bound
分子名称: 1,2-ETHANEDIOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A GLGE ISOFORM 1
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-06-30
公開日2011-09-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
3ZSF
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BU of 3zsf by Molmil
Crystal structure of the L-cystine solute receptor of Neisseria gonorrhoeae in the unliganded open conformation
分子名称: ABC TRANSPORTER, PERIPLASMIC BINDING PROTEIN, AMINO ACID
著者Bulut, H, Moniot, S, Scheffel, F, Gathmann, S, Licht, A, Saenger, W, Schneider, E.
登録日2011-06-27
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae.
J.Mol.Biol., 415, 2012
3ZVH
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BU of 3zvh by Molmil
Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant Q73A
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Raj, H, Szymanski, W, de Villiers, J, Rozeboom, H.J, Veetil, V.P, Reis, C.R, de Villiers, M, de Wildeman, S, Dekker, F.J, Quax, W.J, Thunnissen, A.M.W.H, Feringa, B.L, Janssen, D.B, Poelarends, G.J.
登録日2011-07-25
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Engineering Methylaspartate Ammonia Lyase for the Asymmetric Synthesis of Unnatural Amino Acids.
Nat.Chem., 4, 2012
5EUA
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BU of 5eua by Molmil
Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam
分子名称: (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
5NGG
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Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion
分子名称: ACETATE ION, Blr6230 protein, ZINC ION
著者Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S.
登録日2017-03-17
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Inorg.Chim.Acta., 2017
4A0V
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model refined against the Symmetry-free cryo-EM map of TRiC-AMP-PNP
分子名称: T-COMPLEX PROTEIN 1 SUBUNIT BETA
著者Cong, Y, Schroder, G.F, Meyer, A.S, Jakana, J, Ma, B, Dougherty, M.T, Schmid, M.F, Reissmann, S, Levitt, M, Ludtke, S.L, Frydman, J, Chiu, W.
登録日2011-09-13
公開日2012-02-15
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (10.7 Å)
主引用文献Symmetry-Free Cryo-Em Structures of the Chaperonin Tric Along its ATPase-Driven Conformational Cycle.
Embo J., 31, 2012

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