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7QQ8
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BU of 7qq8 by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-8 (G206Y, R207Q, D210P, S211T)
Descriptor: Beta-aspartyl-peptidase, CHLORIDE ION, SODIUM ION
Authors:Loch, J.I, Kadziolka, K, Jaskolski, M.
Deposit date:2022-01-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
8SCC
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BU of 8scc by Molmil
Crystal Structure of L-galactose 1-dehydrogenase de Myrciaria dubia
Descriptor: L-galactose dehydrogenase
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-04-05
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
6YOO
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BU of 6yoo by Molmil
Structure of SAMM50 LIR bound to GABARAPL1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein-like 1, ...
Authors:Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T.
Deposit date:2020-04-14
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structure of SAMM50 LIR bound to GABARAPL1
To Be Published
5FWS
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BU of 5fws by Molmil
Wnt modulator Kremen crystal form I at 1.90A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, KREMEN PROTEIN 1, ...
Authors:Zebisch, M, Jackson, V.A, Jones, E.Y.
Deposit date:2016-02-21
Release date:2016-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
6JRF
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BU of 6jrf by Molmil
Crystal structure of ZmMoc1-Holliday junction Complex in the presence of Calcium
Descriptor: CALCIUM ION, DNA (33-MER), Monokaryotic chloroplast 1, ...
Authors:Lin, Z, Lin, H, Zhang, D, Yuan, C.
Deposit date:2019-04-03
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Structural basis of sequence-specific Holliday junction cleavage by MOC1.
Nat.Chem.Biol., 15, 2019
7QI8
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BU of 7qi8 by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR
Descriptor: 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1
Authors:Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
Deposit date:2021-12-14
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
6G97
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BU of 6g97 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6YOP
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BU of 6yop by Molmil
Structure of SAMM50 LIR bound to GABARAP
Descriptor: Sorting and assembly machinery component 50 homolog,Gamma-aminobutyric acid receptor-associated protein
Authors:Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T.
Deposit date:2020-04-14
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of SAMM50 LIR bound to GABARAP
To Be Published
8SG0
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BU of 8sg0 by Molmil
Crystal Structure of GDP-manose 3,5 epimerase de Myrciaria dubia in complex with substrate, product and NAD
Descriptor: GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ...
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-04-11
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
6QI7
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BU of 6qi7 by Molmil
Engineered beta-lactoglobulin: variant L39Y in complex with endogenous ligand
Descriptor: 1,2-ETHANEDIOL, Beta-lactoglobulin, PALMITIC ACID
Authors:Loch, J.I, Siuda, M.K, Lewinski, K.
Deposit date:2019-01-17
Release date:2019-01-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
8AS3
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BU of 8as3 by Molmil
Structure of arrestin2 in complex with 6P CCR5 phosphopeptide and Fab30
Descriptor: Beta-arrestin-1, C-C chemokine receptor type 5, Fab30 heavy chain, ...
Authors:Isaikina, P, Jakob, R.P, Maier, T, Grzesiek, S.
Deposit date:2022-08-18
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
6C7S
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BU of 6c7s by Molmil
Structure of Rifampicin Monooxygenase with Product Bound
Descriptor: (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, L.-K, Tanner, J.J.
Deposit date:2018-01-23
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Evidence for Rifampicin Monooxygenase Inactivating Rifampicin by Cleaving Its Ansa-Bridge.
Biochemistry, 57, 2018
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
6YPI
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BU of 6ypi by Molmil
Structure of the engineered metallo-Diels-Alderase DA7 W16G,K58Q,L77R,T78R
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BENZOIC ACID, DA7 W16G,K58Q,L77R,T78R, ...
Authors:Basler, S, Mori, T, Hilvert, D.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold.
Nat.Chem., 13, 2021
6G9H
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BU of 6g9h by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6YO5
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BU of 6yo5 by Molmil
Crystal structure of the M295F variant of Ssl1
Descriptor: ALA-HIS-ALA, COPPER (II) ION, Copper oxidase, ...
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-04-14
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
6G14
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BU of 6g14 by Molmil
Crystal structure of ppGpp bound RbgA from S. aureus
Descriptor: GUANOSINE-5',3'-TETRAPHOSPHATE, Ribosome biogenesis GTPase A
Authors:Pausch, P, Bange, G.
Deposit date:2018-03-20
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for (p)ppGpp-mediated inhibition of the GTPase RbgA.
J. Biol. Chem., 293, 2018
6YGU
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BU of 6ygu by Molmil
Crystal structure of the minimal Mtr4-Red1 complex (single chain) from Chaetomium thermophilum
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ATP dependent RNA helicase (Dob1)-like protein, ...
Authors:Dobrev, N, Ahmed, Y.L, Sinning, I.
Deposit date:2020-03-27
Release date:2021-05-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The zinc-finger protein Red1 orchestrates MTREC submodules and binds the Mtl1 helicase arch domain.
Nat Commun, 12, 2021
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
5F92
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BU of 5f92 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate
Descriptor: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
Authors:Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
Deposit date:2015-12-09
Release date:2016-06-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
6G9Q
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BU of 6g9q by Molmil
Ternary complex of P14 TCR with murine MHC class I H-2 Db in complex with self-antigen derived from dopamine monooxygenase.
Descriptor: Beta-2-microglobulin, Dopamine beta-hydroxylase, GLYCEROL, ...
Authors:Achour, A, Sandalova, T, Allerbring, E.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for CD8+ T cells auto-reactivity in LCMV infection
to be published
6C9H
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BU of 6c9h by Molmil
non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K.
Deposit date:2018-01-26
Release date:2018-11-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
8SD7
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BU of 8sd7 by Molmil
Carbonic anhydrase II radiation damage RT 61-90
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
6QJE
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BU of 6qje by Molmil
Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, Galactokinase, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2019-01-24
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
To Be Published
6G1D
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BU of 6g1d by Molmil
Corynebacterium glutamicum OxyR C206 mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Young, D.R, Pedre, B.P, Messens, J.M.
Deposit date:2018-03-21
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

224201

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