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6FK3
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BU of 6fk3 by Molmil
Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant full-length protein in complex with propanal)
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T.
Deposit date:2018-01-23
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension.
Sci Rep, 8, 2018
3KEA
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BU of 3kea by Molmil
Structure function studies of vaccinia virus host-range protein K1 reveal a novel ankyrin repeat interaction surface for K1s function
Descriptor: K1L
Authors:Li, Y.
Deposit date:2009-10-25
Release date:2010-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure function studies of vaccinia virus host range protein k1 reveal a novel functional surface for ankyrin repeat proteins.
J.Virol., 84, 2010
6ETZ
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BU of 6etz by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB
Descriptor: ACETATE ION, Beta-galactosidase, MALONATE ION, ...
Authors:Rutkiewicz-Krotewicz, M, Bujacz, A, Bujacz, G.
Deposit date:2017-10-27
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted Beta-D-Galactosidases: Crystal Structure of BetaDG from Arthrobacter sp. 32cB
Crystals, 8, 2018
8C6I
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BU of 8c6i by Molmil
TMEM2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hohenester, E.
Deposit date:2023-01-11
Release date:2023-02-01
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the transmembrane protein 2 (TMEM2) ectodomain and its apparent lack of hyaluronidase activity.
Wellcome Open Res, 8, 2023
3KHM
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BU of 3khm by Molmil
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-10-30
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
6ZO0
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BU of 6zo0 by Molmil
2.23 A resolution 3,4-dimethylcatechol (3,4-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2020-07-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
6EXN
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BU of 6exn by Molmil
Post-catalytic P complex spliceosome with 3' splice site docked
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Intron lariat: UBC4 RNA, ...
Authors:Wilkinson, M.E, Fica, S.M, Galej, W.P, Norman, C.M, Newman, A.J, Nagai, K.
Deposit date:2017-11-08
Release date:2018-01-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Postcatalytic spliceosome structure reveals mechanism of 3'-splice site selection.
Science, 358, 2017
6ZR2
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BU of 6zr2 by Molmil
Cryo-EM structure of respiratory complex I in the active state from Mus musculus at 3.1 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
Deposit date:2020-07-10
Release date:2020-10-21
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
3KHU
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BU of 3khu by Molmil
Crystal structure of human UDP-glucose dehydrogenase Glu161Gln, in complex with thiohemiacetal intermediate
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, UDP-glucose 6-dehydrogenase, ...
Authors:Chaikuad, A, Egger, S, Yue, W.W, Guo, K, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-10-30
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Kinetic Evidence That Catalytic Reaction of Human UDP-glucose 6-Dehydrogenase Involves Covalent Thiohemiacetal and Thioester Enzyme Intermediates.
J.Biol.Chem., 287, 2012
7ADC
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BU of 7adc by Molmil
Transcription termination intermediate complex 3 delta NusG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ...
Authors:Said, N, Hilal, T, Loll, B, Wahl, C.M.
Deposit date:2020-09-14
Release date:2020-11-25
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
6EY1
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BU of 6ey1 by Molmil
prolyl hydroxylase from Trichoplax adhaerens
Descriptor: ACETATE ION, GLYCEROL, HIF prolyl hydroxylase, ...
Authors:McDonough, M.A, Boleininger, A.
Deposit date:2017-11-10
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Born to sense: biophysical analyses of the oxygen sensing prolyl hydroxylase from the simplest animal Trichoplax adhaerens.
Hypoxia (Auckl), 6, 2018
6ZNY
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BU of 6zny by Molmil
1.50 A resolution 3-methylcatechol (3-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2020-07-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
2CJ4
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BU of 2cj4 by Molmil
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco at pH 4.6
Descriptor: ACETATE ION, INVERTASE INHIBITOR, SULFATE ION
Authors:Hothorn, M, Scheffzek, K.
Deposit date:2006-03-29
Release date:2006-03-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Multiple Crystal Forms of the Cell Wall Invertase Inhibitor from Tobacco Support High Conformational Rigidity Over a Broad Ph-Range
Acta Crystallogr.,Sect.D, 62, 2006
6ZO2
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BU of 6zo2 by Molmil
1.65 A resolution 4,5-dimethylcatechol (4,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2020-07-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
8C3N
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BU of 8c3n by Molmil
Stapled peptide SP30 in complex with humanised RadA mutant HumRadA22
Descriptor: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
Authors:Pantelejevs, T, Hyvonen, M.
Deposit date:2022-12-27
Release date:2023-03-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
6F2J
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BU of 6f2j by Molmil
Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM sodium sulfate
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6F4A
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BU of 6f4a by Molmil
Yeast mitochondrial RNA degradosome complex mtEXO
Descriptor: Exoribonuclease II, mitochondrial, RNA (5'-R(P*AP*GP*AP*UP*AP*C)-3'), ...
Authors:Razew, M, Nowak, E, Nowotny, M.
Deposit date:2017-11-29
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural analysis of mtEXO mitochondrial RNA degradosome reveals tight coupling of nuclease and helicase components.
Nat Commun, 9, 2018
6ZS8
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BU of 6zs8 by Molmil
X-ray structure of the adduct formed upon treating lysozyme with an aged solution of arsenoplatin-1
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysozyme, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2020-07-15
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:The first step of arsenoplatin-1 aggregation in solution unveiled by solving the crystal structure of its protein adduct.
Dalton Trans, 50, 2021
2WM1
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BU of 2wm1 by Molmil
The crystal structure of human alpha-amino-beta-carboxymuconate- epsilon-semialdehyde decarboxylase in complex with 1,3- dihydroxyacetonephosphate suggests a regulatory link between NAD synthesis and glycolysis
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, 2-AMINO-3-CARBOXYMUCONATE-6-SEMIALDEHYDE DECARBOXYLASE, GLYCEROL, ...
Authors:Garavaglia, S, Perozzi, S, Galeazzi, L, Raffaelli, N, Rizzi, M.
Deposit date:2009-06-29
Release date:2009-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Crystal Structure of Human Alpha-Amino-Beta-Carboxymuconate-Epsilon-Semialdehyde Decarboxylase in Complex with 1,3-Dihydroxyacetonephosphate Suggests a Regulatory Link between Nad Synthesis and Glycolysis
FEBS J., 276, 2009
7A62
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BU of 7a62 by Molmil
Structure of human indoleamine-2,3-dioxygenase 1 (hIDO1) with a complete JK loop
Descriptor: CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Mirgaux, M, Wouters, J.
Deposit date:2020-08-24
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43796444 Å)
Cite:Influence of the presence of the heme cofactor on the JK-loop structure in indoleamine 2,3-dioxygenase 1.
Acta Crystallogr D Struct Biol, 76, 2020
6F9Z
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BU of 6f9z by Molmil
Lysozyme crystallized in presence of 5 mM ammonium sulphate at pH 4.5
Descriptor: CHLORIDE ION, Lysozyme C, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2017-12-15
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding.
Acta Crystallogr D Struct Biol, 74, 2018
6ET4
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BU of 6et4 by Molmil
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ...
Authors:Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S.
Deposit date:2017-10-25
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage.
Nat Commun, 9, 2018
2NTT
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BU of 2ntt by Molmil
Crystal Structure of SEK
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K
Authors:Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J.
Deposit date:2006-11-08
Release date:2007-06-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
6ZN4
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BU of 6zn4 by Molmil
MaeB malic enzyme domain apoprotein
Descriptor: MAGNESIUM ION, NADP-dependent malate dehydrogenase,Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
7A6Q
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BU of 7a6q by Molmil
Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6 inhibitor compound
Descriptor: (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium, 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile, Aldehyde dehydrogenase family 1 member A3, ...
Authors:Gelardi, E.L.M, Garavaglia, S.
Deposit date:2020-08-26
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A Selective Competitive Inhibitor of Aldehyde Dehydrogenase 1A3 Hinders Cancer Cell Growth, Invasiveness and Stemness In Vitro.
Cancers (Basel), 13, 2021

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