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3P8M
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BU of 3p8m by Molmil
Human dynein light chain (DYNLL2) in complex with an in vitro evolved peptide dimerized by leucine zipper
Descriptor: Dynein light chain 2, General control protein GCN4
Authors:Rapali, P, Radnai, L, Suveges, D, Hetenyi, C, Harmat, V, Tolgyesi, F, Wahlgren, W.Y, Katona, G, Nyitray, L, Pal, G.
Deposit date:2010-10-14
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Directed evolution reveals the binding motif preference of the LC8/DYNLL hub protein and predicts large numbers of novel binders in the human proteome.
Plos One, 6, 2011
8E4W
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BU of 8e4w by Molmil
Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-19
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
7LP6
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BU of 7lp6 by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 2 (merged)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-11
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
5TNU
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BU of 5tnu by Molmil
S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution
Descriptor: CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ...
Authors:DuPrez, K.T, Hilario, E, Wang, I, Fan, L.
Deposit date:2016-10-14
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA.
Anal.Chem., 90, 2018
8BVB
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BU of 8bvb by Molmil
Crystal structure of the apo form of SmbA loop deletion mutant.
Descriptor: Aldo_ket_red domain-containing protein
Authors:Dubey, B.N, Schirmer, T.
Deposit date:2022-12-02
Release date:2023-01-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutant structure of metabolic switch protein in complex with monomeric c-di-GMP reveals a potential mechanism of protein-mediated ligand dimerization.
Sci Rep, 13, 2023
8EY9
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BU of 8ey9 by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A in complex with 9-hydroxy-10,12-octadecadienoyl-ethanolamide
Descriptor: (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide, Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
8EWW
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BU of 8eww by Molmil
Structure of Arabidopsis fatty acid amide hydrolase mutant S305A
Descriptor: Fatty acid amide hydrolase
Authors:Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D.
Deposit date:2022-10-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
5TFZ
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BU of 5tfz by Molmil
Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with nickel and diacrylate
Descriptor: 3-(acryloyloxy)propanoic acid, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ...
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-09-27
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter.
Biochemistry, 56, 2017
5DPN
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BU of 5dpn by Molmil
Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG.
Descriptor: CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Ohlin, M.
Deposit date:2015-09-13
Release date:2015-10-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand.
Biochemistry, 54, 2015
5WQP
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BU of 5wqp by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ...
Authors:Li, S, Wang, Y, Bartlam, M.
Deposit date:2016-11-27
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
7LV6
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BU of 7lv6 by Molmil
The structure of MalL mutant enzyme S536R from Bacillus subtilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Hamill, C.J, Prentice, E.J, Bahl, C.D, Truebridge, I.S, Arcus, V.L.
Deposit date:2021-02-24
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Urea binding to guide rational design of mutations that influence enzyme dynamics
To Be Published
1A14
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BU of 1a14 by Molmil
COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 5 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NC10 FV (HEAVY CHAIN), ...
Authors:Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M.
Deposit date:1997-12-21
Release date:1998-05-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structures of single-chain Fv-neuraminidase complexes.
J.Mol.Biol., 279, 1998
6WF2
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BU of 6wf2 by Molmil
Crystal structure of mouse SCD1 with a diiron center
Descriptor: Acyl-CoA desaturase 1, FE (III) ION, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)
Authors:Shen, J, Zhou, M.
Deposit date:2020-04-03
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structure and Mechanism of a Unique Diiron Center in Mammalian Stearoyl-CoA Desaturase.
J.Mol.Biol., 432, 2020
5E4P
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BU of 5e4p by Molmil
X-ray Crystal Structure Analysis of Magnetically Oriented Microcrystals of Lysozyme at 1.8 angstrom Resolution
Descriptor: Lysozyme C
Authors:Tsukui, S, Kimura, F, Garman, E.F, Baba, S, Mizuno, N, Mikami, B, Kimura, T.
Deposit date:2015-10-06
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:X-ray crystal structure analysis of magnetically oriented microcrystals of lysozyme at 1.8 A resolution
J.Appl.Crystallogr., 49, 2016
5TJH
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BU of 5tjh by Molmil
hUGDH A136M Substitution
Descriptor: CHLORIDE ION, PYROPHOSPHATE 2-, UDP-glucose 6-dehydrogenase, ...
Authors:Beattie, N.R, Wood, Z.A.
Deposit date:2016-10-04
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Allostery and Hysteresis Are Coupled in Human UDP-Glucose Dehydrogenase.
Biochemistry, 56, 2017
5WW4
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BU of 5ww4 by Molmil
Crystal structure of the second DNA-Binding protein under starvation from Mycobacterium smegmatis soaked with iron in the ratio of 48 iron atoms per dodecamer
Descriptor: CHLORIDE ION, FE (II) ION, FE (III) ION, ...
Authors:Williams, S.M, Chatterji, D.
Deposit date:2016-12-31
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis
Metallomics, 9, 2017
6WKR
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BU of 6wkr by Molmil
PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome
Descriptor: DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R.
Deposit date:2020-04-16
Release date:2021-02-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
5WS7
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BU of 5ws7 by Molmil
Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 2-oxo-dATP
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Authors:Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
Deposit date:2016-12-05
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
5WWE
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BU of 5wwe by Molmil
Crystal structure of hnRNPA2B1 in complex with RNA
Descriptor: Heterogeneous nuclear ribonucleoproteins A2/B1, RNA (5'-R(*AP*GP*GP*GP*AP*CP*UP*AP*GP*A)-3')
Authors:Wu, B.X, Su, S.C, Ma, J.B.
Deposit date:2017-01-01
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1.
Nat Commun, 9, 2018
3C84
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BU of 3c84 by Molmil
Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid
Descriptor: ISOPROPYL ALCOHOL, MAGNESIUM ION, Soluble acetylcholine receptor, ...
Authors:Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W.
Deposit date:2008-02-08
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C8X
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BU of 3c8x by Molmil
Crystal structure of the ligand binding domain of human Ephrin A2 (Epha2) receptor protein kinase
Descriptor: Ephrin type-A receptor 2
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-14
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
7ZT0
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BU of 7zt0 by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-05-09
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
8A7Z
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BU of 8a7z by Molmil
NMR structure of holo-acp
Descriptor: 4'-PHOSPHOPANTETHEINE, Hybrid polyketide synthase-non ribosomal peptide synthetase
Authors:Collin, S, Weissman, K.J, Chagot, B, Gruez, A.
Deposit date:2022-06-21
Release date:2023-03-22
Last modified:2023-03-29
Method:SOLUTION NMR
Cite:Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
3C9E
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BU of 3c9e by Molmil
Crystal structure of the cathepsin K : chondroitin sulfate complex.
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Cathepsin K, ...
Authors:Kienetz, M, Cherney, M.M, James, M.N.G, Bromme, D.
Deposit date:2008-02-15
Release date:2008-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal and molecular structures of a cathepsin K:chondroitin sulfate complex.
J.Mol.Biol., 383, 2008
1VC4
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BU of 1vc4 by Molmil
Crystal Structure of Indole-3-Glycerol Phosphate Synthase (TrpC) from Thermus Thermophilus At 1.8 A Resolution
Descriptor: ACETIC ACID, GLYCEROL, Indole-3-Glycerol Phosphate Synthase, ...
Authors:Bagautdinov, B, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-03-04
Release date:2004-03-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of indole-3-glycerol phosphate synthase from Thermus thermophilus HB8: implications for thermal stability.
Acta Crystallogr.,Sect.D, 67, 2011

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數據於2024-08-14公開中

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