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6A15
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Structure of CYP90B1 in complex with cholesterol
分子名称: CHLORIDE ION, CHOLESTEROL, Cytochrome P450 90B1, ...
著者Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
登録日2018-06-06
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
8BSX
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BU of 8bsx by Molmil
IPNS H270D variant in complex with Fe and ACV after 10 min O2 exposure
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-11-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献IPNS H270D variant in complex with Fe and ACV after 10 min O2 exposure
To Be Published
8P1H
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BU of 8p1h by Molmil
Crystal structure of the chimera of human 14-3-3 zeta and phosphorylated cytoplasmic loop fragment of the alpha7 acetylcholine receptor
分子名称: 1,2-ETHANEDIOL, AZIDE ION, BENZOIC ACID, ...
著者Boyko, K.M, Kapitonova, A.A, Tugaeva, K.V, Varfolomeeva, L.A, Lyukmanova, E.N, Sluchanko, N.N.
登録日2023-05-12
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure reveals canonical recognition of the phosphorylated cytoplasmic loop of human alpha7 nicotinic acetylcholine receptor by 14-3-3 protein.
Biochem.Biophys.Res.Commun., 682, 2023
7N0Z
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BU of 7n0z by Molmil
Structure of PPM1H phosphatase with manganese ions at the active site
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Protein phosphatase 1H
著者Khan, A.R, Waschbusch, D.
登録日2021-05-26
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
8OMG
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BU of 8omg by Molmil
Crystal structure of mKHK (apo)
分子名称: Ketohexokinase
著者Ebenhoch, E, Pautsch, P.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
4ZGX
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BU of 4zgx by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
分子名称: Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ...
著者Kuglstatter, A, Joseph, C.
登録日2015-04-24
公開日2015-10-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys.
J.Med.Chem., 58, 2015
6UHV
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BU of 6uhv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
分子名称: 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-28
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
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
7NAA
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BU of 7naa by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain
分子名称: (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase
著者Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC)
登録日2021-06-21
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021
8OXW
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BU of 8oxw by Molmil
Transglutaminase 3 in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
6UII
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BU of 6uii by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol
分子名称: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
8PCW
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BU of 8pcw by Molmil
Structure of Csm6' from Streptococcus thermophilus
分子名称: CRISPR system endoribonuclease Csm6'
著者McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M.
登録日2023-06-11
公開日2023-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.54 Å)
主引用文献Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open.
Nucleic Acids Res., 51, 2023
6UE0
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BU of 6ue0 by Molmil
Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION
著者Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P.
登録日2019-09-20
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
7S51
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BU of 7s51 by Molmil
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide
分子名称: LEU-PRO-ALA-THR-ALA, Sortase
著者Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
登録日2021-09-09
公開日2022-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
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
8OXX
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BU of 8oxx by Molmil
Transglutaminase 3 in complex with inhibitor Z-don and DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, 5-OXO-L-NORLEUCINE, Antibody fab fragment heavy chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
7S4O
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BU of 7s4o by Molmil
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide
分子名称: LEU-PRO-ALA-THR-SER-GLY, Sortase
著者Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
登録日2021-09-09
公開日2022-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.396 Å)
主引用文献Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
7S25
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BU of 7s25 by Molmil
ROCK1 IN COMPLEX WITH LIGAND G4998
分子名称: 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1
著者Ganichkin, O, Harris, S.F, Steinbacher, S.
登録日2021-09-03
公開日2022-10-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.337 Å)
主引用文献Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
6UF1
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BU of 6uf1 by Molmil
Pistol ribozyme transition-state analog vanadate
分子名称: MANGANESE (II) ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER)
著者Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R.
登録日2019-09-23
公開日2019-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
8OXV
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BU of 8oxv by Molmil
Transglutaminase 3 zymogen in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody Fab fragment Heavy chain, Antibody Fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
6TVD
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BU of 6tvd by Molmil
Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue, 3'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
8OYX
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BU of 8oyx by Molmil
De novo designed soluble GPCR-like fold GLF_18
分子名称: De novo designed soluble GPCR-like protein, PHOSPHATE ION
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
5ZSF
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BU of 5zsf by Molmil
Crystal structure of monkey TLR7 in complex with imiquimod
分子名称: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2018-04-28
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
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
8OYL
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BU of 8oyl by Molmil
Coiled-Coil Domain of Human STIL, Q729L Mutant
分子名称: CADMIUM ION, CHLORIDE ION, SCL-interrupting locus protein, ...
著者Martin, F.J.O, Shamir, M, Woolfson, D.N, Friedler, A.
登録日2023-05-05
公開日2023-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Molecular Mechanism of STIL Coiled-Coil Domain Oligomerization.
Int J Mol Sci, 24, 2023

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件を2024-08-21に公開中

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