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5SCA
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BU of 5sca by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 36
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid, ...
Authors:Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
Deposit date:2021-12-01
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
7AA4
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BU of 7aa4 by Molmil
Structure of ClpC1-NTD bound to a CymA analogue
Descriptor: Negative regulator of genetic competence ClpC/mecB, polymer Cyclomarin A analogue
Authors:Meinhart, A, Morreale, F.E, Kaiser, M, Clausen, T.
Deposit date:2020-09-03
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:BacPROTACs mediate targeted protein degradation in bacteria.
Cell, 185, 2022
6IV0
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BU of 6iv0 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation I180A
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-02
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
7SBY
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BU of 7sby by Molmil
Structure of OC43 spike in complex with polyclonal Fab7 (Donor 269)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
6IVK
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BU of 6ivk by Molmil
Crystal structure of a membrane protein G175A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
7SBX
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BU of 7sbx by Molmil
Structure of OC43 spike in complex with polyclonal Fab6 (Donor 1051)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7A3W
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BU of 7a3w by Molmil
Structure of Imine Reductase from Pseudomonas sp.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NAD(P)-dependent oxidoreductase, ...
Authors:Cuetos, A, Thorpe, T, Turner, N.J, Grogan, G.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Multifunctional biocatalyst for conjugate reduction and reductive amination.
Nature, 604, 2022
7SB3
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BU of 7sb3 by Molmil
Structure of OC43 spike in complex with polyclonal Fab1 (Donor 269)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Ward, A, Bangaru, S, Antanasijevic, A.
Deposit date:2021-09-23
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
6IVW
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BU of 6ivw by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation D269A
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
7SB4
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BU of 7sb4 by Molmil
Structure of OC43 spike in complex with polyclonal Fab2 (Donor 1412)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-23
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SB5
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BU of 7sb5 by Molmil
Structure of OC43 spike in complex with polyclonal Fab3 (Donor 1412)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-23
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SBV
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BU of 7sbv by Molmil
Structure of OC43 spike in complex with polyclonal Fab4 (Donor 269)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SBW
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BU of 7sbw by Molmil
Structure of OC43 spike in complex with polyclonal Fab5 (Donor 1051)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
Authors:Bangaru, S, Antanasijevic, A, Ward, A.
Deposit date:2021-09-26
Release date:2022-05-04
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
4MDV
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BU of 4mdv by Molmil
Crystal structure of calcium-bound annexin (Sm)1
Descriptor: Annexin, CALCIUM ION
Authors:Hofmann, A.
Deposit date:2013-08-23
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and immunological properties of the first annexin from Schistosoma mansoni: insights into the structural integrity of the schistosomal tegument.
Febs J., 281, 2014
7YXC
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BU of 7yxc by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, CARBONATE ION, DEXAMETHASONE, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
7YXD
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BU of 7yxd by Molmil
Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment
Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ...
Authors:Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
3QY3
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BU of 3qy3 by Molmil
PA2801 protein, a putative Thioesterase from Pseudomonas aeruginosa
Descriptor: CHLORIDE ION, Thioesterase
Authors:Osipiuk, J, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-16
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and activity of the Pseudomonas aeruginosa hotdog-fold thioesterases PA5202 and PA2801.
Biochem.J., 444, 2012
6RWM
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BU of 6rwm by Molmil
SIVrcm intasome in complex with bictegravir
Descriptor: Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ...
Authors:Cherepanov, P, Nans, A, Cook, N.
Deposit date:2019-06-05
Release date:2020-02-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
8JX8
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BU of 8jx8 by Molmil
rat megalin head
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A.
Deposit date:2023-06-30
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
8JUU
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BU of 8juu by Molmil
rat megalin
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A.
Deposit date:2023-06-27
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
5AP6
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BU of 5ap6 by Molmil
Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ...
Authors:Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.M, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R, Linardopoulos, S.
Deposit date:2015-09-14
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
8JX9
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BU of 8jx9 by Molmil
rat megalin bodyA
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A.
Deposit date:2023-06-30
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
6X6G
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BU of 6x6g by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with droperidol
Descriptor: 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-05-28
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
8JXH
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BU of 8jxh by Molmil
rat megalin RAP complex wingA
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A.
Deposit date:2023-06-30
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
5AR7
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BU of 5ar7 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea
Descriptor: 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
Deposit date:2015-09-24
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015

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