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4ZV2
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An ancestral arginine-binding protein bound to glutamine
分子名称: AncQR, GLUTAMINE
著者Clifton, B.E, Jackson, C.J.
登録日2015-05-18
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Ancestral Protein Reconstruction Yields Insights into Adaptive Evolution of Binding Specificity in Solute-Binding Proteins.
Cell Chem Biol, 23, 2016
6XQS
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BU of 6xqs by Molmil
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-07-10
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
6L6M
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BU of 6l6m by Molmil
HSP18.5 from E. histolytica
分子名称: Heat shock protein hsp20 family putative
著者Kurre, D, Suguna, K.
登録日2019-10-29
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.28000379 Å)
主引用文献Network of Entamoeba histolytica HSP18.5 dimers formed by two overlapping [IV]-X-[IV] motifs.
Proteins, 2021
6L7X
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BU of 6l7x by Molmil
Crystal structure of Cet1 from Trypanosoma cruzi in complex with #951 ligand
分子名称: 1,3-dimethyl-7-propyl-purine-2,6-dione, SULFATE ION, mRNA_triPase domain-containing protein
著者Kuwabara, N, Ho, K.
登録日2019-11-03
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
5ADF
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BU of 5adf by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6L36
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BU of 6l36 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization
分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-10-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
4ZVW
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BU of 4zvw by Molmil
Structure of apo human ALDH7A1 in space group C2
分子名称: Alpha-aminoadipic semialdehyde dehydrogenase
著者Tanner, J.J.
登録日2015-05-18
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1.
Biochemistry, 54, 2015
6XH3
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BU of 6xh3 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.3
分子名称: TAR BINDING PROTEIN TBP 6.3, TRANS-ACTIVATION RESPONSE ELEMENT
著者Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
登録日2020-06-18
公開日2020-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
6L46
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BU of 6l46 by Molmil
High-resolution neutron and X-ray joint refined structure of copper-containing nitrite reductase from Geobacillus thermodenitrificans
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Fukuda, Y, Hirano, Y, Kusaka, K, Inoue, T, Tamada, T.
登録日2019-10-16
公開日2020-02-12
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION
主引用文献High-resolution neutron crystallography visualizes an OH-bound resting state of a copper-containing nitrite reductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
4ZXR
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BU of 4zxr by Molmil
Structure of Thaumatin wrapped in graphene within vacuum
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1
著者Aller, P, Warren, A.J, Trincao, J, Evans, G.
登録日2015-05-20
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献In vacuo X-ray data collection from graphene-wrapped protein crystals.
Acta Crystallogr.,Sect.D, 71, 2015
7DEQ
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BU of 7deq by Molmil
Lysozyme-sugar complex in D2O
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Tanaka, I, Chatake, T.
登録日2020-11-04
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
4ZT2
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BU of 4zt2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
6XNS
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BU of 6xns by Molmil
C3_crown-05
分子名称: C3_crown-05
著者Bick, M.J, Hsia, Y, Sankaran, B, Baker, D.
登録日2020-07-04
公開日2020-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6LBB
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BU of 6lbb by Molmil
Crystal structure of barley exohydrolaseI W434A mutant in complex with 4I,4III,4V-S-trithiocellohexaose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-14
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6XP4
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BU of 6xp4 by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293
分子名称: Nucleoside diphosphate kinase
著者Nguyen, S, Bruning, J.B.
登録日2020-07-07
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
4ZUK
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BU of 4zuk by Molmil
Structure ALDH7A1 complexed with NAD+
分子名称: Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TETRAETHYLENE GLYCOL
著者Luo, M, Tanner, J.J.
登録日2015-05-16
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1.
Biochemistry, 54, 2015
6XCA
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BU of 6xca by Molmil
Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C105
分子名称: C105 Heavy Chain, C105 Light Chain, SULFATE ION
著者Sharaf, N.G, Barnes, C.O, Bjorkman, P.J.
登録日2020-06-08
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of Human Antibodies Bound to SARS-CoV-2 Spike Reveal Common Epitopes and Recurrent Features of Antibodies.
Cell, 182, 2020
6LBV
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BU of 6lbv by Molmil
Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-15
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6LCF
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BU of 6lcf by Molmil
Crystal Structure of beta-L-arabinobiose binding protein - native
分子名称: ABC transporter substrate binding component, beta-L-arabinofuranose-(1-2)-beta-L-arabinofuranose
著者Miyake, M, Arakawa, T, Fushinobu, S.
登録日2019-11-18
公開日2020-04-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural analysis of beta-L-arabinobiose-binding protein in the metabolic pathway of hydroxyproline-rich glycoproteins in Bifidobacterium longum.
Febs J., 287, 2020
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
分子名称: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6L5V
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BU of 6l5v by Molmil
Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light (2 min)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XPS
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BU of 6xps by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
著者Nguyen, S, Bruning, J.B.
登録日2020-07-08
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
7DER
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BU of 7der by Molmil
Lysozyme alone in H2O
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Tanaka, I, Chatake, T.
登録日2020-11-04
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
7D98
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BU of 7d98 by Molmil
Crystal structure of full-length CbnR complexed with the target DNA complex
分子名称: DNA (56-mer), LysR-type regulatory protein
著者Senda, M, Giannopoulou, E, Senda, T.
登録日2020-10-12
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of the full-length LysR-type transcription regulator CbnR in complex with promoter DNA.
Febs J., 288, 2021
6XQU
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BU of 6xqu by Molmil
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-07-10
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020

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