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2LLN
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BU of 2lln by Molmil
Solution structure of Thermus thermophilus apo-CuA
Descriptor: Cytochrome c oxidase subunit 2
Authors:Zaballa, M, Abriata, L, Donaire, A, Vila, A.
Deposit date:2011-11-15
Release date:2012-05-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: CHLORIDE ION, MAGNESIUM ION, Phosphomannomutase 2, ...
Authors:Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
Deposit date:2021-03-26
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
Deposit date:2021-04-06
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.66 Å)
Cite: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
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
Deposit date:2021-03-29
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.08 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
Deposit date:2021-04-09
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V.
Deposit date:2021-04-08
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: Metallo-beta-lactamase type 2 chimera, ZINC ION
Authors:Otero, L, Giannini, E, Klinke, S, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A.
Deposit date:2018-01-18
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: CADMIUM ION, CALCIUM ION, COBALT (II) ION, ...
Authors:Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A.
Deposit date:2018-01-30
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: Beta-lactamase 2, ZINC ION
Authors:Tomatis, P, Fabiane, S, Simona, F, Carloni, P, Sutton, B, Vila, A.
Deposit date:2008-11-24
Release date:2008-12-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.804 Å)
Cite: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
Descriptor: (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, ...
Authors:Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A.
Deposit date:2019-12-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*.
Chembiochem, 22, 2021
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
Descriptor: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2023-11-17
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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.
Descriptor: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2023-11-17
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
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)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Isoform of Lysine-specific histone demethylase 1A, REST corepressor 1
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-05-06
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fine-tuned KDM1A alternative splicing regulates human cardiomyogenesis through an enzymatic-independent mechanism.
Iscience, 25, 2022
4E3R
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BU of 4e3r by Molmil
PLP-bound aminotransferase mutant crystal structure from Vibrio fluvialis
Descriptor: Pyruvate transaminase, SODIUM ION, SULFATE ION
Authors: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.
Deposit date:2012-03-10
Release date:2012-10-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ...
Authors: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.
Deposit date:2012-03-10
Release date:2012-10-10
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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)
Descriptor: Obscurin
Authors:Wright, N.T, Berndsen, C.E, Policke, R.A.
Deposit date:2016-11-21
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.177 Å)
Cite:A novel FLNC frameshift and an OBSCN variant in a family with distal muscular dystrophy.
PLoS ONE, 12, 2017

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