7THX
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![BU of 7thx by Molmil](/molmil-images/mine/7thx) | 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
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1KBZ
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![BU of 1kbz by Molmil](/molmil-images/mine/1kbz) | 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
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1KC3
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![BU of 1kc3 by Molmil](/molmil-images/mine/1kc3) | 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
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1KC1
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![BU of 1kc1 by Molmil](/molmil-images/mine/1kc1) | 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
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8JFB
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![BU of 8jfb by Molmil](/molmil-images/mine/8jfb) | 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
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8JFD
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![BU of 8jfd by Molmil](/molmil-images/mine/8jfd) | 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
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8JFC
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![BU of 8jfc by Molmil](/molmil-images/mine/8jfc) | 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
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3ZFS
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![BU of 3zfs by Molmil](/molmil-images/mine/3zfs) | 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
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5MAN
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![BU of 5man by Molmil](/molmil-images/mine/5man) | |
5M9X
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![BU of 5m9x by Molmil](/molmil-images/mine/5m9x) | 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
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1F3R
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![BU of 1f3r by Molmil](/molmil-images/mine/1f3r) | 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
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8FXH
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![BU of 8fxh by Molmil](/molmil-images/mine/8fxh) | |
8FXI
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![BU of 8fxi by Molmil](/molmil-images/mine/8fxi) | 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
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7O3X
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![BU of 7o3x by Molmil](/molmil-images/mine/7o3x) | 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
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7O40
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![BU of 7o40 by Molmil](/molmil-images/mine/7o40) | 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
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7O3Y
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![BU of 7o3y by Molmil](/molmil-images/mine/7o3y) | 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
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7O3Z
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![BU of 7o3z by Molmil](/molmil-images/mine/7o3z) | 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
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7O3W
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![BU of 7o3w by Molmil](/molmil-images/mine/7o3w) | 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
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5MB2
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![BU of 5mb2 by Molmil](/molmil-images/mine/5mb2) | |
8A92
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![BU of 8a92 by Molmil](/molmil-images/mine/8a92) | 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
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8EXL
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![BU of 8exl by Molmil](/molmil-images/mine/8exl) | 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
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8EXO
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![BU of 8exo by Molmil](/molmil-images/mine/8exo) | 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
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8EXU
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![BU of 8exu by Molmil](/molmil-images/mine/8exu) | 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
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8EXV
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![BU of 8exv by Molmil](/molmil-images/mine/8exv) | 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
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1DZT
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![BU of 1dzt by Molmil](/molmil-images/mine/1dzt) | 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
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