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8PEU
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BU of 8peu by Molmil
Rho-ATPgS-Psu complex I
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Polarity suppression protein, ...
Authors:Gjorgjevikj, D, Wahl, M.C, Hilal, T, Loll, B.
Deposit date:2023-06-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rho-ATPgS-Psu complex I
To Be Published
7BOO
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BU of 7boo by Molmil
Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus, apo form
Descriptor: Alpha-1,2-mannosyltransferase (Ktr4), putative, GLYCEROL, ...
Authors:Hira, D, Onoue, T, Oka, T.
Deposit date:2020-03-19
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the core-mannan biosynthesis of cell wall fungal-type galactomannan in Aspergillus fumigatus .
J.Biol.Chem., 295, 2020
8PEY
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BU of 8pey by Molmil
Rho P167L-ATPgS-Psu complex II
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Polarity suppression protein, ...
Authors:Gjorgjevikj, D, Wahl, M.C, Hilal, T, Loll, B.
Deposit date:2023-06-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Rho P167L-ATPgS-Psu complex II
To Be Published
7C1R
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BU of 7c1r by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
6ZXK
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BU of 6zxk by Molmil
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement
Descriptor: Lethal factor, Protective antigen
Authors:Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S.
Deposit date:2020-07-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
6ZYJ
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BU of 6zyj by Molmil
Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Yan, Y, Preissler, S, Ron, D.
Deposit date:2020-08-01
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
4MC1
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BU of 4mc1 by Molmil
HIV protease in complex with SA526P
Descriptor: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
4LJB
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BU of 4ljb by Molmil
Structure of a photobleached state of IrisFP under high intensity laser-light
Descriptor: Green to red photoconvertible GPF-like protein EosFP, SULFATE ION, SULFITE ION
Authors:Duan, C, Adam, V, Byrdin, M, Ridard, J, Kieffer-Jacquinod, S, Morlot, C, Arcizet, D, Demachy, I, Bourgeois, D.
Deposit date:2013-07-04
Release date:2013-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9019 Å)
Cite:Structural evidence for a two-regime photobleaching mechanism in a reversibly switchable fluorescent protein.
J.Am.Chem.Soc., 135, 2013
8Q5N
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BU of 8q5n by Molmil
Apo form of restriction endonuclease NhoI.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Restriction endonuclease (NhoI)
Authors:Rafalski, D, Krakowska, A, Bochtler, M.
Deposit date:2023-08-09
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 2024
8Q5O
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BU of 8q5o by Molmil
N-terminal domain of restriction endonuclease Eco15I with tetra-methylated target DNA.
Descriptor: CALCIUM ION, DNA (5'-D(*CP*TP*GP*(5CM)P*TP*GP*(5CM)P*TP*C)-3'), DNA (5'-D(*GP*AP*GP*(5CM)P*AP*GP*(5CM)P*AP*G)-3'), ...
Authors:Rafalski, D, Krakowska, K, Bochtler, M.
Deposit date:2023-08-09
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 2024
8Q5M
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BU of 8q5m by Molmil
N-terminal domain of restriction endonuclease Eco15I in the absence of DNA.
Descriptor: Restriction endonuclease (Eco15I)
Authors:Rafalski, D, Krakowska, K, Bochtler, M.
Deposit date:2023-08-09
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 2024
8DOX
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BU of 8dox by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-14
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
8E1F
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BU of 8e1f by Molmil
Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
Descriptor: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Wilson, E, Nawarathnage, S, Stewart, C, Brown, S, Bezzant, B, Bunn, D, Towne, N, Pedroza Romo, M.J, Moody, J.D.
Deposit date:2022-08-10
Release date:2022-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
To Be Published
6ZXU
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BU of 6zxu by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged.
Descriptor: CHLORIDE ION, COBALAMIN, IRON/SULFUR CLUSTER, ...
Authors:Leys, D, Halliwell, T.
Deposit date:2020-07-30
Release date:2020-09-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
6ZYI
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BU of 6zyi by Molmil
Crystal structure of HSP70 ATPase domain in complex with ADP and calcium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Heat shock 70kDa protein 1A variant
Authors:Yan, Y, Preissler, S, Ron, D.
Deposit date:2020-08-01
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
7C1P
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BU of 7c1p by Molmil
Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7BOP
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BU of 7bop by Molmil
Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus, Mn/GDP-form
Descriptor: Alpha-1,2-mannosyltransferase (Ktr4), putative, GLYCEROL, ...
Authors:Hira, D, Onoue, T, Oka, T.
Deposit date:2020-03-19
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the core-mannan biosynthesis of cell wall fungal-type galactomannan in Aspergillus fumigatus .
J.Biol.Chem., 295, 2020
8PIU
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BU of 8piu by Molmil
60-meric complex of dihydrolipoamide acetyltransferase (E2) of the human pyruvate dehydrogenase complex
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial
Authors:Zdanowicz, R, Afanasyev, P, Boehringer, D, Glockshuber, R.
Deposit date:2023-06-22
Release date:2024-07-10
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Stoichiometry and architecture of the human pyruvate dehydrogenase complex.
Sci Adv, 10, 2024
7C1S
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BU of 7c1s by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC
Descriptor: Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
8PVR
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BU of 8pvr by Molmil
Cryo-EM structure of horse Nhe9 bound to PI(3,5)P2
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Sodium/hydrogen exchanger 9
Authors:Kokane, S, Meier, P, Gulati, A, Delemotte, L, Drew, D.
Deposit date:2023-07-18
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:PIP2 mediated oligomerization of the endosomal sodium/proton exchanger NHE9
To Be Published
3NM3
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BU of 3nm3 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
Descriptor: MAGNESIUM ION, PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, ...
Authors:Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
Deposit date:2010-06-21
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
8PNE
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BU of 8pne by Molmil
E.coli YihX Wild Type Apo
Descriptor: Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, CHLORIDE ION, ...
Authors:Zappala, D, Baumann, P, Jin, Y.
Deposit date:2023-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Apo structure of E.coli YihX Wild Type
To Be Published
8CUS
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BU of 8cus by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1(NaCl) Chain A, I432-1(NaCl) Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUT
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BU of 8cut by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1(Imd) Chain A, I432-1(Imd) Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023

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PDB entries from 2024-08-21

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