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7QK9
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BU of 7qk9 by Molmil
Crystal structure of the ALDH1A3-ATP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, ...
Authors:Castellvi, A, Farres, J.
Deposit date:2021-12-17
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Structural and biochemical evidence that ATP inhibits the cancer biomarker human aldehyde dehydrogenase 1A3.
Commun Biol, 5, 2022
5B8B
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BU of 5b8b by Molmil
Crystal structure of reduced chimeric E.coli AhpC1-186-YFSKHN
Descriptor: Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, SULFATE ION
Authors:Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G.
Deposit date:2016-06-14
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins.
Sci Rep, 6, 2016
5B2W
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BU of 5b2w by Molmil
Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan
Descriptor: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2016-02-03
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of P450BM3 with decoy molecules
to be published
4Y12
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BU of 4y12 by Molmil
Crystal structure of the S/T protein kinase PknG from Mycobacterium tuberculosis in complex with AGS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PknG, ...
Authors:Lisa, M.N, Alzari, P.M.
Deposit date:2015-02-06
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis of the Activity and the Regulation of the Eukaryotic-like S/T Protein Kinase PknG from Mycobacterium tuberculosis.
Structure, 23, 2015
4XR7
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BU of 4xr7 by Molmil
Structure of the Saccharomyces cerevisiae PAN2-PAN3 core complex
Descriptor: PAB-dependent poly(A)-specific ribonuclease subunit PAN2, PAB-dependent poly(A)-specific ribonuclease subunit PAN3
Authors:Schafer, I.B, Rode, M, Bonneau, F, Schussler, S, Conti, E.
Deposit date:2015-01-20
Release date:2015-01-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.796 Å)
Cite:The structure of the Pan2-Pan3 core complex reveals cross-talk between deadenylase and pseudokinase.
Nat. Struct. Mol. Biol., 21, 2014
5UFK
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BU of 5ufk by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila
Descriptor: GLYCEROL, effector protein SidK
Authors:Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
Deposit date:2017-01-04
Release date:2017-05-10
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
7U1C
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BU of 7u1c by Molmil
Structure of EstG crystalized with SO4 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ...
Authors:Gabelli, S.B, Chen, Z.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7TND
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BU of 7tnd by Molmil
The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid
Descriptor: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-20
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TNF
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BU of 7tnf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
5BUM
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BU of 5bum by Molmil
Crystal Structure of LysM domain from Equisetum arvense chitinase A
Descriptor: Chitinase A, SULFATE ION
Authors:Kitaoku, Y, Numata, T, Ohnuma, T, Taira, T, Fukamizo, T.
Deposit date:2015-06-04
Release date:2016-06-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure, mechanism, and phylogeny of LysM-chitinase conjugates specifically found in fern plants.
Plant Sci., 321, 2022
7TNU
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BU of 7tnu by Molmil
The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid
Descriptor: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7QI1
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BU of 7qi1 by Molmil
Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768 and PPI stabilizer CY007424
Descriptor: 14-3-3 protein theta, ARGININE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Stevers, L.M, Ottmann, C.
Deposit date:2021-12-14
Release date:2022-05-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Macrocycle-stabilization of its interaction with 14-3-3 increases plasma membrane localization and activity of CFTR.
Nat Commun, 13, 2022
7TP6
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BU of 7tp6 by Molmil
The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid
Descriptor: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-25
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7TP5
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BU of 7tp5 by Molmil
The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid
Descriptor: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-25
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7TQM
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BU of 7tqm by Molmil
The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid
Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-26
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.438 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7QSL
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BU of 7qsl by Molmil
Bovine complex I in lipid nanodisc, Active-apo
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Chung, I, Bridges, H.R, Hirst, J.
Deposit date:2022-01-13
Release date:2022-05-25
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSM
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BU of 7qsm by Molmil
Bovine complex I in lipid nanodisc, Deactive-ligand (composite)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Chung, I, Bridges, H.R, Hirst, J.
Deposit date:2022-01-13
Release date:2022-05-25
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSN
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BU of 7qsn by Molmil
Bovine complex I in lipid nanodisc, Deactive-apo
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Chung, I, Bridges, H.R, Hirst, J.
Deposit date:2022-01-13
Release date:2022-05-25
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
5B48
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BU of 5b48 by Molmil
2-Oxoacid:Ferredoxin Oxidoreductase 1 from Sulfolobus tokodai
Descriptor: 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, ...
Authors:Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T.
Deposit date:2016-04-01
Release date:2016-09-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii
Sci Rep, 6, 2016
7QSK
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BU of 7qsk by Molmil
Bovine complex I in lipid nanodisc, Active-Q10
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Chung, I, Bridges, H.R, Hirst, J.
Deposit date:2022-01-13
Release date:2022-05-25
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
8J8E
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BU of 8j8e by Molmil
Human serum albumin-palladium(II) agent complex
Descriptor: PALMITIC ACID, Serum albumin, ~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
Authors:Zhang, Z.L, Zhang, J.Z.
Deposit date:2023-05-01
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of human serum albumin palladium(II) agent complex
To Be Published
7QSO
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BU of 7qso by Molmil
Bovine complex I in lipid nanodisc, State 3 (Slack)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Chung, I, Bridges, H.R, Hirst, J.
Deposit date:2022-01-13
Release date:2022-05-25
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
5U1S
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BU of 5u1s by Molmil
Crystal structure of the Saccharomyces cerevisiae separase-securin complex at 3.0 angstrom resolution
Descriptor: Securin, Separin
Authors:Luo, S, Tong, L.
Deposit date:2016-11-29
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Molecular mechanism for the regulation of yeast separase by securin.
Nature, 542, 2017
7QQK
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BU of 7qqk by Molmil
TIR-SAVED effector bound to cA3
Descriptor: RNA (5'-R(P*AP*AP*A)-3'), TIR_SAVED fusion protein
Authors:Spagnolo, L, White, M.F, Hogrel, G, Guild, A.
Deposit date:2022-01-09
Release date:2022-06-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cyclic nucleotide-induced helical structure activates a TIR immune effector.
Nature, 608, 2022
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
Authors:Kitakaze, K, Maita, N, Itoh, K.
Deposit date:2015-06-01
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016

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