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1UAJ
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BU of 1uaj by Molmil
Crystal structure of tRNA(m1G37)methyltransferase: Insight into tRNA recognition
Descriptor: tRNA (Guanine-N(1)-)-methyltransferase
Authors:Ahn, H.J, Kim, H.-W, Yoon, H.-J, Lee, B.I, Suh, S.W, Yang, J.K.
Deposit date:2003-03-11
Release date:2003-06-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of tRNA(m(1)G37)methyltransferase: insights into tRNA recognition
EMBO J., 22, 2003
8TSA
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BU of 8tsa by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 2
Descriptor: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSB
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BU of 8tsb by Molmil
Human PI3K p85alpha/p110alpha bound to compound 2
Descriptor: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
1FRB
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BU of 1frb by Molmil
FR-1 PROTEIN/NADPH/ZOPOLRESTAT COMPLEX
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, FR-1 PROTEIN, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wilson, D.K, Quiocho, F.A.
Deposit date:1995-08-08
Release date:1996-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.7 A structure of FR-1, a fibroblast growth factor-induced member of the aldo-keto reductase family, complexed with coenzyme and inhibitor.
Biochemistry, 34, 1995
8TS8
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BU of 8ts8 by Molmil
p85alpha/p110alpha heterodimer H1047R mutant
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSD
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BU of 8tsd by Molmil
Human PI3K p85alpha/p110alpha bound to RLY-2608
Descriptor: N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS7
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BU of 8ts7 by Molmil
Human PI3K p85alpha/p110alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS9
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BU of 8ts9 by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 1
Descriptor: 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSC
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BU of 8tsc by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 3
Descriptor: (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
1UAM
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BU of 1uam by Molmil
Crystal structure of tRNA(m1G37)methyltransferase: Insight into tRNA recognition
Descriptor: PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Guanine-N(1)-)-methyltransferase
Authors:Ahn, H.J, Kim, H.-W, Yoon, H.-J, Lee, B.I, Suh, S.W, Yang, J.K.
Deposit date:2003-03-11
Release date:2003-06-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of tRNA(m(1)G37)methyltransferase: insights into tRNA recognition
EMBO J., 22, 2003
5JHI
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BU of 5jhi by Molmil
Solution structure of the de novo mini protein gEHE_06
Descriptor: W35
Authors:Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T.
Deposit date:2016-04-21
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6NKE
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BU of 6nke by Molmil
Wild-type GGGPS from Thermoplasma volcanium
Descriptor: GLYCEROL, Geranylgeranylglyceryl phosphate synthase, IMIDAZOLE, ...
Authors:Blank, P.N, Alderfer, K.E, Gillott, B.N, Christianson, D.W, Himmelberger, J.A.
Deposit date:2019-01-07
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural studies of geranylgeranylglyceryl phosphate synthase, a prenyltransferase found in thermophilic Euryarchaeota.
Acta Crystallogr D Struct Biol, 76, 2020
1FDO
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BU of 1fdo by Molmil
OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, ...
Authors:Sun, P.D, Boyington, J.C.
Deposit date:1997-01-27
Release date:1997-08-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster.
Science, 275, 1997
4CTS
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BU of 4cts by Molmil
CRYSTAL STRUCTURE ANALYSIS AND MOLECULAR MODEL OF A COMPLEX OF CITRATE SYNTHASE WITH OXALOACETATE AND S-ACETONYL-COENZYME A
Descriptor: CITRATE SYNTHASE, OXALOACETATE ION
Authors:Remington, S, Wiegand, G, Huber, R.
Deposit date:1984-01-27
Release date:1984-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure analysis and molecular model of a complex of citrate synthase with oxaloacetate and S-acetonyl-coenzyme A
J.Mol.Biol., 174, 1984
7P68
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BU of 7p68 by Molmil
Globular glial tauopathy type 3 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
6NK4
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BU of 6nk4 by Molmil
KVQIINKKL, crystal structure of a tau protein fragment
Descriptor: Microtubule-associated protein tau
Authors:Eisenberg, D.S, Boyer, D.R, Sawaya, M.R.
Deposit date:2019-01-04
Release date:2020-01-15
Last modified:2023-10-11
Method:ELECTRON CRYSTALLOGRAPHY (1.994 Å)
Cite:Intrinsic electronic conductivity of individual atomically resolved amyloid crystals reveals micrometer-long hole hopping via tyrosines.
Proc.Natl.Acad.Sci.USA, 118, 2021
7P67
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BU of 7p67 by Molmil
Globular glial tauopathy type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6D
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BU of 7p6d by Molmil
Argyrophilic grain disease type 1 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6E
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BU of 7p6e by Molmil
Argyrophilic grain disease type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6A
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BU of 7p6a by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 1a tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6B
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BU of 7p6b by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 1b tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P34
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BU of 7p34 by Molmil
Cryo-EM structure of the proton-dependent antibacterial peptide transporter SbmA-FabS11-1 in nanodiscs
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Peptide antibiotic transporter SbmA
Authors:Ghilarov, D, Beis, K.
Deposit date:2021-07-07
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Molecular mechanism of SbmA, a promiscuous transporter exploited by antimicrobial peptides.
Sci Adv, 7, 2021
7P65
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BU of 7p65 by Molmil
Progressive supranuclear palsy tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P66
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BU of 7p66 by Molmil
Globular glial tauopathy type 1 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
7P6C
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BU of 7p6c by Molmil
Limbic-predominant neuronal inclusion body 4R tauopathy type 2 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021

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