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6TIS
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BU of 6tis by Molmil
DROSOPHILA GDP-TUBULIN
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B.
Deposit date:2019-11-22
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
6W2X
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BU of 6w2x by Molmil
CryoEM Structure of Inactive GABAB Heterodimer
Descriptor: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Papasergi-Scott, M.M, Robertson, M.J, Skiniotis, G.
Deposit date:2020-03-08
Release date:2020-07-01
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of metabotropic GABABreceptor.
Nature, 584, 2020
8R3B
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BU of 8r3b by Molmil
Cocrystal form I of the Pent - sulfonato-calix[8]arene complex
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller, sulfonato-calix[8]arene
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-11-08
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
6W3F
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BU of 6w3f by Molmil
Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W
Descriptor: Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W
Authors:Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
Deposit date:2020-03-09
Release date:2020-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WA6
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BU of 6wa6 by Molmil
Structure of the Chlamydia pneumoniae CdsV protein
Descriptor: GLYCEROL, Low calcium response locus protein D
Authors:Jensen, J.L, Spiller, B.W.
Deposit date:2020-03-24
Release date:2020-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:"The structure of the Type III secretion system export gate with CdsO, an ATPase lever arm".
Plos Pathog., 16, 2020
6ZHC
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BU of 6zhc by Molmil
PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL
Descriptor: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ...
Authors:Chung, C.
Deposit date:2020-06-22
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Insights into PROTAC-Mediated Degradation of Bcl-xL.
Acs Chem.Biol., 15, 2020
6TBG
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BU of 6tbg by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
6W7I
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BU of 6w7i by Molmil
LmFPPS mutant T164W in complex with 476A, IPP & Ca
Descriptor: 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ...
Authors:Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B.
Deposit date:2020-03-19
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
8AKU
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BU of 8aku by Molmil
250 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Non-canonical ATPase activity drives PspA membrane constriction
To Be Published
8AKY
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BU of 8aky by Molmil
290 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Non-canonical ATPase activity drives PspA membrane constriction
To Be Published
8AKZ
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BU of 8akz by Molmil
320 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Non-canonical ATPase activity drives PspA membrane constriction
To Be Published
7U6E
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BU of 7u6e by Molmil
Head region of insulin receptor ectodomain (A-isoform) bound to the non-insulin agonist IM462
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IM462, ...
Authors:Kirk, N.S, Lawrence, M.C.
Deposit date:2022-03-03
Release date:2022-10-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Activation of the human insulin receptor by non-insulin-related peptides
Nat Commun, 13, 2022
6Q03
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BU of 6q03 by Molmil
Crystal structure of MurA from Clostridium difficile in the presence of UDP-N-acetyl-alpha-D-muramic acid with modified Cys116 (S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine)
Descriptor: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M.
Deposit date:2019-08-01
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of MurA from Clostridium difficile in the presence of UDP-N-acetyl-alpha-D-muramic acid with modified Cys116 (S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine)
To Be Published
8AL0
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BU of 8al0 by Molmil
365 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Non-canonical ATPase activity drives PspA membrane constriction
To Be Published
8AKX
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BU of 8akx by Molmil
305 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Non-canonical ATPase activity drives PspA membrane constriction
To Be Published
8AKV
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BU of 8akv by Molmil
270 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Non-canonical ATPase activity drives PspA membrane constriction
To Be Published
8AKW
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BU of 8akw by Molmil
280 A SynPspA rod after incubation with ATP
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C.
Deposit date:2022-07-31
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Non-canonical ATPase activity drives PspA membrane constriction
To Be Published
7AAA
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BU of 7aaa by Molmil
Crystal structure of the catalytic domain of human PARP1 (apo)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
Authors:Schimpl, M, Ogden, T.E.H, Yang, J.-C, Underwood, E, Rawlins, P.B, Johannes, J.W, Easton, L.E, Embrey, K.J, Neuhaus, D.
Deposit date:2020-09-04
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
5FJI
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BU of 5fji by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
7BGP
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BU of 7bgp by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT.
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
Deposit date:2021-01-08
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7BB2
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BU of 7bb2 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1))
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
Authors:Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
Deposit date:2020-12-16
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
8DW2
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BU of 8dw2 by Molmil
Cryo-EM structure of SARS-CoV-2 RBD in complex with anti-SARS-CoV-2 DARPin,SR22, and two antibody Fabs, S309 and CR3022
Descriptor: Antibody CR3022 heavy chain, Antibody CR3022 light chain, Antibody S309 heavy chain, ...
Authors:Kwon, Y.D, Gorman, J, Kwong, P.D.
Deposit date:2022-07-30
Release date:2022-12-07
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (4.11 Å)
Cite:A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023
6Q0A
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BU of 6q0a by Molmil
Crystal structure of MurA from Clostridium difficile, mutation C116D, n the presence of UDP-N-acetylmuramic acid
Descriptor: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M.
Deposit date:2019-08-01
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of MurA from Clostridium difficile, mutation C116D, n the presence of UDP-N-acetylmuramic acid
To Be Published
6RCS
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BU of 6rcs by Molmil
PfRH5-binding monoclonal antibody R5.016
Descriptor: ACETATE ION, R5.016 heavy chain, R5.016 light chain, ...
Authors:Alanine, D.W.G, Jamwal, A, Draper, S.J, Higgins, M.K.
Deposit date:2019-04-11
Release date:2019-06-26
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
8DW3
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BU of 8dw3 by Molmil
Cryo-EM structure of SARS-CoV-2 RBD in complex with anti-SARS-CoV-2 DARPin,SR16m, and two antibody Fabs, S309 and CR3022
Descriptor: Anti-SARS-CoV-2 DARPin SR16m, Antibody S309 light chain, Spike protein S1, ...
Authors:Kwon, Y.D, Gorman, J, Kwong, P.D.
Deposit date:2022-07-30
Release date:2022-12-07
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (4.26 Å)
Cite:A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023

224004

数据于2024-08-21公开中

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