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6NVQ
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BU of 6nvq by Molmil
Crystal structure of the VASH1-SVBP complex
Descriptor: GLYCEROL, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
Authors:Adamopoulos, A, Perrakis, A, Heidebrecht, T.
Deposit date:2019-02-05
Release date:2019-05-22
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the tubulin tyrosine carboxypeptidase complex VASH1-SVBP.
Nat.Struct.Mol.Biol., 26, 2019
2V1D
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BU of 2v1d by Molmil
Structural basis of LSD1-CoREST selectivity in histone H3 recognition
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A.
Deposit date:2007-05-23
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition.
J.Biol.Chem., 282, 2007
2X0L
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BU of 2x0l by Molmil
Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3 PEPTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Zibetti, C, Adamo, A, Binda, C, Forneris, F, Verpelli, C, Ginelli, E, Mattevi, A, Sala, C, Battaglioli, E.
Deposit date:2009-12-15
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Alternative Splicing of the Histone Demethylase Lsd1/Kdm1 Contributes to the Modulation of Neurite Morphogenesis in the Mammalian Nervous System.
J.Neurosci., 30, 2010
6Q35
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BU of 6q35 by Molmil
Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6Q30
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BU of 6q30 by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 5
Descriptor: (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide, CALCIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6Q2Y
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BU of 6q2y by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-12-03
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6IBS
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BU of 6ibs by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6
Descriptor: CALCIUM ION, Metallo-beta-lactamase type 2, ZINC ION, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-11-30
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6IBV
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BU of 6ibv by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L.
Deposit date:2018-11-30
Release date:2019-05-15
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7Z5G
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BU of 7z5g by Molmil
human apo MATCAP
Descriptor: Uncharacterized protein KIAA0895-like
Authors:Bak, J, Adamoupolos, A, Heidebrecht, T, Perrakis, A.
Deposit date:2022-03-09
Release date:2022-05-11
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
7Z5H
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BU of 7z5h by Molmil
human Zn MATCAP
Descriptor: Uncharacterized protein KIAA0895-like, ZINC ION
Authors:Bak, J, Adamopoulos, A, Heidebrecht, T, Perrakis, A.
Deposit date:2022-03-09
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
6FPV
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BU of 6fpv by Molmil
A llama-derived JBP1-targeting nanobody
Descriptor: GLYCEROL, Nanobody
Authors:van Beusekom, B, Adamopoulos, A, Heidebrecht, T, Joosten, R.P, Perrakis, A.
Deposit date:2018-02-12
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Characterization and structure determination of a llama-derived nanobody targeting the J-base binding protein 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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
4O1X
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BU of 4o1x by Molmil
Crystal structure of human thymidylate synthase double mutant C195S-Y202C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2013-12-16
Release date:2015-01-21
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
4O1U
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BU of 4o1u by Molmil
Crystal structure of human thymidylate synthase mutant Y202C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2013-12-16
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
7BG7
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BU of 7bg7 by Molmil
HRV14 in complex with its receptor ICAM-1
Descriptor: Genome polyprotein, Intercellular adhesion molecule 1
Authors:Hrebik, D, Fuzik, T, Plevka, P.
Deposit date:2021-01-06
Release date:2021-05-19
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BG6
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BU of 7bg6 by Molmil
HRV14 native particle solved by cryoEM
Descriptor: Genome polyprotein, RNA-octamer (5'-R(P*UP*GP*UP*UP*UP*UP*UP*A)-3')
Authors:Hrebik, D, Fuzik, T, Plevka, P.
Deposit date:2021-01-06
Release date:2021-05-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M6B
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BU of 7m6b by Molmil
The Crystal Structure of Mcbe1
Descriptor: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2021-03-25
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Target highlights in CASP14: Analysis of models by structure providers.
Proteins, 89, 2021
7OC9
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BU of 7oc9 by Molmil
Structure of Bdellovibrio bacteriovorus Bd0675
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bd0675, GLYCEROL, ...
Authors:Lovering, A.L, Valdivia-Delgado, M.
Deposit date:2021-04-26
Release date:2021-05-05
Last modified:2021-12-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Target highlights in CASP14: Analysis of models by structure providers.
Proteins, 89, 2021
7Z6S
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BU of 7z6s by Molmil
MATCAP bound to a human 14 protofilament microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bak, J, Perrakis, A.
Deposit date:2022-03-14
Release date:2022-05-11
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
6RXC
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BU of 6rxc by Molmil
Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026)
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1, methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
Authors:Di Pisa, F, Dello Iacono, L, Pozzi, C, Mangani, S.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
6RX0
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BU of 6rx0 by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 3 (NMT-C0013)
Descriptor: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Landi, G, Pozzi, C, Mangani, S.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
6RX6
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BU of 6rx6 by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 4 (NMT-C0026)
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ...
Authors:Landi, G, Pozzi, C, Mangani, S.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
6RX5
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BU of 6rx5 by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 1 (NMT-C0003)
Descriptor: ACETATE ION, GLYCEROL, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, ...
Authors:Landi, G, Pozzi, C, Mangani, S.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
6GD0
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BU of 6gd0 by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 4g (F133)
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ...
Authors:Landi, G, Pozzi, C, Mangani, S.
Deposit date:2018-04-20
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019
6GDO
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BU of 6gdo by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240)
Descriptor: ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pozzi, C, Landi, G, Mangani, S.
Deposit date:2018-04-24
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections.
J.Med.Chem., 62, 2019

 

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