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7Q3C
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BU of 7q3c by Molmil
Ribonucleotide Reductase AaR2 protein from Aquifex aeolicus
Descriptor: FE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
Authors:Scaletti, E.R, Rehling, D, Stenmark, P.
Deposit date:2021-10-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
7Q1G
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BU of 7q1g by Molmil
Crystal structure and metal binding properties of the periplasmic iron component EfeM from Pseudomonas syringae EfeUOB/M iron-transport system
Descriptor: Peptidase_M75 domain-containing protein, SULFATE ION
Authors:Watson, K.A, Rajasekaran, M.
Deposit date:2021-10-19
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure and metal binding properties of the periplasmic iron component EfeM from Pseudomonas syringae EfeUOB/M iron-transport system.
Biometals, 35, 2022
4XLP
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BU of 4xlp by Molmil
Crystal structure of T.aquaticus transcription initiation complex containing upstream fork promoter
Descriptor: DNA (25-MER), DNA (30-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
7PJC
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BU of 7pjc by Molmil
The structure of Candida albicans phosphoglucomutase with isothiazolone modification on Cys359
Descriptor: GLYCEROL, Phosphoglucomutase, SULFATE ION, ...
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
6P70
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BU of 6p70 by Molmil
X-ray crystal structure of bacterial RNA polymerase and pyrBI promoter complex
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*CP*GP*AP*TP*CP*TP*TP*TP*GP*CP*CP*GP*GP*G)-3'), DNA (5'-D(P*TP*CP*CP*CP*GP*GP*CP*AP*AP*AP*TP*TP*GP*TP*CP*CP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-06-04
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
7PL9
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BU of 7pl9 by Molmil
Cryo-EM structure of Bestrhodopsin (rhodopsin-rhodopsin-bestrophin) complex
Descriptor: RETINAL, Rhodopsin
Authors:Matzov, D, Kaczmarczyk, I, Shalev-Benami, M.
Deposit date:2021-08-29
Release date:2022-07-06
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels.
Nat.Struct.Mol.Biol., 29, 2022
1WLA
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BU of 1wla by Molmil
MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Maurus, R, Brayer, G.D.
Deposit date:1997-09-24
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A myoglobin variant with a polar substitution in a conserved hydrophobic cluster in the heme binding pocket.
Biochim.Biophys.Acta, 1341, 1997
7PI5
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BU of 7pi5 by Molmil
Unstacked stretched Dunaliella PSII
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
Authors:Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N.
Deposit date:2021-08-19
Release date:2022-08-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Elife, 12, 2023
7PNK
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BU of 7pnk by Molmil
Unstacked compact Dunaliella PSII
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
Authors:Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N.
Deposit date:2021-09-07
Release date:2022-08-17
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Elife, 12, 2023
7PIN
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BU of 7pin by Molmil
Stacked compact Dunaliella PSII
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
Authors:Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N.
Deposit date:2021-08-22
Release date:2022-08-17
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Elife, 12, 2023
7PIW
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BU of 7piw by Molmil
Stacked stretched Dunaliella PSII
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
Authors:Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N.
Deposit date:2021-08-23
Release date:2022-08-17
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Elife, 12, 2023
7ZBB
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BU of 7zbb by Molmil
HaloTag with TRaQ-G-ctrl ligand
Descriptor: (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
7ZBA
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BU of 7zba by Molmil
HaloTag with Me-TRaQ-G ligand
Descriptor: 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
Deposit date:2022-03-23
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
4XUJ
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BU of 4xuj by Molmil
Nucleosome core particle containing adducts from treatment with a thiomorpholine-substituted [(eta-6-p-cymene)Ru(3-hydroxy-2-pyridone)Cl] compound
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Adhireksan, Z, Davey, C.A.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Contrasting Cytotoxicity and Reactivity of RuII-Arene Complexes of Morpholine vs Thiomorpholine Substituted 3-Hydroxy-2-pyridone Ligands
To Be Published
6P71
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BU of 6p71 by Molmil
X-ray crystal structure of a bacterial reiterative transcription complex of pyrBI promoter
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*CP*GP*AP*GP*CP*CP*GP*GP*GP*A)-3'), DNA (5'-D(P*CP*TP*CP*CP*CP*GP*GP*CP*AP*AP*AP*TP*TP*GP*T)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2019-06-04
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structural basis of reiterative transcription from the pyrG and pyrBI promoters by bacterial RNA polymerase.
Nucleic Acids Res., 48, 2020
6SSY
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BU of 6ssy by Molmil
Taurine ABC transporter substrate binding protein TauA from E. coli in complex with 2-Aminoethylphosphonic acid
Descriptor: (2-aminoethyl)phosphonic acid, GLYCEROL, IODIDE ION, ...
Authors:Beis, K, Qu, F.
Deposit date:2019-09-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Desolvation of the substrate-binding protein TauA dictates ligand specificity for the alkanesulfonate ABC importer TauABC.
Biochem.J., 476, 2019
5CAW
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BU of 5caw by Molmil
Structure of Pediculus humanus Parkin bound to phospho-ubiquitin
Descriptor: E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, SULFATE ION, ...
Authors:Wauer, T, Komander, D.
Deposit date:2015-06-30
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Mechanism of phospho-ubiquitin-induced PARKIN activation.
Nature, 524, 2015
6ST1
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BU of 6st1 by Molmil
Taurine ABC transporter substrate binding protein TauA from E. coli in complex with 2-(N-Morpholino)ethanesulfonic acid (MES)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, IODIDE ION, ...
Authors:Beis, K, Qu, F.
Deposit date:2019-09-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Desolvation of the substrate-binding protein TauA dictates ligand specificity for the alkanesulfonate ABC importer TauABC.
Biochem.J., 476, 2019
7ZL2
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BU of 7zl2 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810
Descriptor: T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-13
Release date:2022-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810
To Be Published
7ZKF
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BU of 7zkf by Molmil
Crystal Structure of human Brachyury G177D variant in complex with CF-5-86
Descriptor: PHOSPHATE ION, T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-12
Release date:2022-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with CF-5-86
To Be Published
8A10
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BU of 8a10 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
Descriptor: T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-05-30
Release date:2022-07-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
To Be Published
8A5J
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BU of 8a5j by Molmil
Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1
Descriptor: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit
Authors:Nawrotek, A, Vuillard, L, Miallau, L.
Deposit date:2022-06-15
Release date:2022-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
7ZKH
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BU of 7zkh by Molmil
C-Methyltransferase PsmD from Streptomyces griseofuscus with bound cofactor (crystal form 1)
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, TRIETHYLENE GLYCOL, ...
Authors:Weiergraeber, O.H, Amariei, D.A, Pozhydaieva, N, Pietruszka, J.
Deposit date:2022-04-13
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enzymatic C3-Methylation of Indoles Using Methyltransferase PsmD-Crystal Structure, Catalytic Mechanism, and Preparative Applications
Acs Catalysis, 2022
5ZC2
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BU of 5zc2 by Molmil
Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH), reductase component (C1)
Descriptor: FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, reductase component
Authors:Yuenyao, A, Petchyam, N, Chaiyen, P, Pakotiprapha, D.
Deposit date:2018-02-14
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.898 Å)
Cite:Crystal structure of the flavin reductase of Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH) and identification of amino acid residues underlying its regulation by aromatic ligands
Arch. Biochem. Biophys., 653, 2018
6VVZ
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BU of 6vvz by Molmil
Mycobacterium tuberculosis RNAP S456L mutant transcription initiation intermediate structure with Sorangicin
Descriptor: DNA (62-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A.
Deposit date:2020-02-18
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020

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