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2LLN
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BU of 2lln by Molmil
Solution structure of Thermus thermophilus apo-CuA
分子名称: Cytochrome c oxidase subunit 2
著者Zaballa, M, Abriata, L, Donaire, A, Vila, A.
登録日2011-11-15
公開日2012-05-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Flexibility of the metal binding region in apo-cupredoxins and its implications on the entatic state and in vivo metallation
Proc.Natl.Acad.Sci.USA, 2012
7O0C
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BU of 7o0c by Molmil
Human phosphomannomutase 2 (PMM2) wild-type in apo state
分子名称: CHLORIDE ION, MAGNESIUM ION, Phosphomannomutase 2, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-03-26
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O4G
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BU of 7o4g by Molmil
Human phosphomannomutase 2 (PMM2) wild-type soaked with the activator glucose 1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-04-06
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O1B
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BU of 7o1b by Molmil
Human phosphomannomutase 2 (PMM2) wild-type co-crystallized with the activator glucose 1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-03-29
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O5Z
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BU of 7o5z by Molmil
Human phosphomannomutase 2 (PMM2) with mutation T237M in apo state
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-04-09
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
7O58
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BU of 7o58 by Molmil
Human phosphomannomutase 2 (PMM2) with mutation T237M in complex with the activator glucose 1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
登録日2021-04-08
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
6C6I
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BU of 6c6i by Molmil
Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 L3 loop
分子名称: Metallo-beta-lactamase type 2 chimera, ZINC ION
著者Otero, L, Giannini, E, Klinke, S, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A.
登録日2018-01-18
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
6CAC
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BU of 6cac by Molmil
Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop
分子名称: CADMIUM ION, CALCIUM ION, COBALT (II) ION, ...
著者Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A.
登録日2018-01-30
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
3FCZ
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BU of 3fcz by Molmil
Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility
分子名称: Beta-lactamase 2, ZINC ION
著者Tomatis, P, Fabiane, S, Simona, F, Carloni, P, Sutton, B, Vila, A.
登録日2008-11-24
公開日2008-12-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Adaptive protein evolution grants organismal fitness by improving catalysis and flexibility.
Proc.Natl.Acad.Sci.USA, 105, 2008
6TO2
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BU of 6to2 by Molmil
Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one
分子名称: (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, CHLORIDE ION, Cytochrome P450 monooxygenase, ...
著者Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A.
登録日2019-12-11
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*.
Chembiochem, 22, 2021
7ZRY
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BU of 7zry by Molmil
Structure of the 2a splicing variant of the full-length human LSD1 bound to CoREST (delta305)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Isoform of Lysine-specific histone demethylase 1A, REST corepressor 1
著者Caroli, J, Mattevi, A.
登録日2022-05-06
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fine-tuned KDM1A alternative splicing regulates human cardiomyogenesis through an enzymatic-independent mechanism.
Iscience, 25, 2022
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8R5T
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BU of 8r5t by Molmil
Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
分子名称: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
4E3R
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BU of 4e3r by Molmil
PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis
分子名称: Pyruvate transaminase, SODIUM ION, SULFATE ION
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
4E3Q
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BU of 4e3q by Molmil
PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ...
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
5TZM
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BU of 5tzm by Molmil
59th Ig domain of human obscurin (OBSCN Ig59)
分子名称: Obscurin
著者Wright, N.T, Berndsen, C.E, Policke, R.A.
登録日2016-11-21
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.177 Å)
主引用文献A novel FLNC frameshift and an OBSCN variant in a family with distal muscular dystrophy.
PLoS ONE, 12, 2017

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