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PDB: 165 results

7THX
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Cryo-EM structure of W6 possum enterovirus
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Wang, I, Jayawardena, N, Strauss, M, Bostina, M.
Deposit date:2022-01-12
Release date:2022-03-09
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Cryo-EM Structure of a Possum Enterovirus.
Viruses, 14, 2022
1KBZ
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Crystal Structure of apo-dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) from Salmonella enterica serovar Typhimurium
Descriptor: MAGNESIUM ION, dTDP-glucose oxidoreductase
Authors:Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
Deposit date:2001-11-07
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
1KC3
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Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH and dTDP-L-rhamnose
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
Deposit date:2001-11-07
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
1KC1
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Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH
Descriptor: MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
Deposit date:2001-11-07
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
8JFB
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V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M.
Deposit date:2023-05-17
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
8JFD
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V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 8 (B21594), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M.
Deposit date:2023-05-17
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
8JFC
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V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 6 (B21591), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M.
Deposit date:2023-05-17
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.
Rsc Med Chem, 14, 2023
3ZFS
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BU of 3zfs by Molmil
Cryo-EM structure of the F420-reducing NiFe-hydrogenase from a methanogenic archaeon with bound substrate
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, COENZYME F420, F420-REDUCING HYDROGENASE, ...
Authors:Mills, D.J, Vitt, S, Strauss, M, Shima, S, Vonck, J.
Deposit date:2012-12-12
Release date:2013-03-06
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4 Å)
Cite:De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy
Elife, 2, 2013
5MAN
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BU of 5man by Molmil
Structure of sucrose phosphorylase from Bifidobacterium adolescentis bound to nigerose
Descriptor: Sucrose phosphorylase, alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Grimm, C, Kraus, M.
Deposit date:2016-11-03
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Switching enzyme specificity from phosphate to resveratrol glucosylation.
Chem. Commun. (Camb.), 53, 2017
5M9X
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Structure of sucrose phosphorylase from Bifidobacterium adolescentis bound to glycosylated resveratrol
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol, Sucrose phosphorylase
Authors:Grimm, C, Kraus, M.
Deposit date:2016-11-02
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Switching enzyme specificity from phosphate to resveratrol glucosylation.
Chem. Commun. (Camb.), 53, 2017
1F3R
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COMPLEX BETWEEN FV ANTIBODY FRAGMENT AND AN ANALOGUE OF THE MAIN IMMUNOGENIC REGION OF THE ACETYLCHOLINE RECEPTOR
Descriptor: ACETYLCHOLINE RECEPTOR ALPHA, FV ANTIBODY FRAGMENT
Authors:Kleinjung, J, Petit, M.-C, Orlewski, P, Mamalaki, A, Tzartos, S.-J, Tsikaris, V, Sakarellos-Daitsiotis, M, Sakarellos, C, Marraud, M, Cung, M.-T.
Deposit date:2000-06-06
Release date:2000-06-15
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The third-dimensional structure of the complex between an Fv antibody fragment and an analogue of the main immunogenic region of the acetylcholine receptor: a combined two-dimensional NMR, homology, and molecular modeling approach.
Biopolymers, 53, 2000
8FXH
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BU of 8fxh by Molmil
Cryo-EM structure of Stanieria sp. CphA2
Descriptor: RimK domain-containing protein ATP-grasp
Authors:Markus, L.M, Sharon, I, Strauss, M, Schmeing, T.M.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and function of a hexameric cyanophycin synthetase 2.
Protein Sci., 32, 2023
8FXI
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Cryo-EM structure of Stanieria sp. CphA2 in complex with ADPCP and 4x(beta-Asp-Arg)
Descriptor: 1-[(4-aminopyrimidin-5-yl)amino]-2,5-anhydro-1-deoxy-6-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-D-allitol, 4x(beta-Asp-Arg), MAGNESIUM ION, ...
Authors:Markus, L.M, Sharon, I, Strauss, M, Schmeing, T.M.
Deposit date:2023-01-24
Release date:2023-06-14
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure and function of a hexameric cyanophycin synthetase 2.
Protein Sci., 32, 2023
7O3X
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Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O40
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Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3Y
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BU of 7o3y by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3Z
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BU of 7o3z by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
7O3W
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BU of 7o3w by Molmil
Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein sll0617
Authors:Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D.
Deposit date:2021-04-03
Release date:2021-06-30
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
5MB2
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BU of 5mb2 by Molmil
Structure of sucrose phosphorylase from Bifidobacterium adolescentis bound to nigerose
Descriptor: GLYCEROL, Sucrose phosphorylase
Authors:Grimm, C, Kraus, M.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structure of sucrose phosphorylase from Bifidobacterium adolescentis bound to nigerose
To Be Published
8A92
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p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, Cellular tumor antigen p53, ...
Authors:Stahlecker, J, Braun, M.B, Stehle, T, Boeckler, F.M.
Deposit date:2022-06-27
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C.
Rsc Med Chem, 13, 2022
8EXL
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Crystal structure of PI3K-alpha in complex with taselisib
Descriptor: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
Deposit date:2022-10-25
Release date:2022-11-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.989 Å)
Cite:Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXO
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Crystal structure of PI3K-alpha in complex with compound 19
Descriptor: 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
Deposit date:2022-10-25
Release date:2022-11-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXU
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Crystal structure of PI3K-alpha in complex with compound 30
Descriptor: (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
Deposit date:2022-10-25
Release date:2022-11-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXV
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BU of 8exv by Molmil
Crystal structure of PI3K-alpha in complex with compound 32
Descriptor: N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
Deposit date:2022-10-25
Release date:2022-11-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
1DZT
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RMLC FROM SALMONELLA TYPHIMURIUM
Descriptor: 3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER), 3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE, DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE, ...
Authors:Naismith, J.H, Giraud, M.F.
Deposit date:2000-03-07
Release date:2000-04-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rmlc, the Third Enzyme of Dtdp-L-Rhamnose Pathway, is a New Class of Epimerase.
Nat.Struct.Biol., 7, 2000

221716

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