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7XQK
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BU of 7xqk by Molmil
The Crystal Structure of CDK3 and CyclinE1 Complex from Biortus.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, G1/S-specific cyclin-E1, GLYCEROL, ...
著者Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of CDK3 activation by cyclin E1 and inhibition by dinaciclib.
Biochem.Biophys.Res.Commun., 662, 2023
8ZAE
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BU of 8zae by Molmil
Crystal structure of RuABA3 from Rutstroemia sp. NJR-2017a WRK4 in complex with FsPP
分子名称: Aba 3 protein, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
著者Li, S.Y, Li, H, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2024-04-25
公開日2024-12-11
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Molecular insights into a distinct class of terpenoid cyclases.
Nat Commun, 16, 2025
7XRI
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BU of 7xri by Molmil
Feruloyl esterase mutant -S106A
分子名称: Cinnamoyl esterase, ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
著者Hwang, J.S, Lee, J.H, Do, H, Lee, C.W.
登録日2022-05-10
公開日2023-05-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Feruloyl Esterase ( La Fae) from Lactobacillus acidophilus : Structural Insights and Functional Characterization for Application in Ferulic Acid Production.
Int J Mol Sci, 24, 2023
7XS2
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BU of 7xs2 by Molmil
Monomer structure of HtrA from Helicobacter pylori
分子名称: Periplasmic serine endoprotease DegP-like
著者Cui, L, Liu, W.
登録日2022-05-12
公開日2023-05-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements.
Int.J.Biol.Macromol., 243, 2023
8SGD
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BU of 8sgd by Molmil
Crystal Structure of CDC3(G) - CDC10(Delta 1-10) heterocomplex from Saccharomyces cerevisiae
分子名称: CDC10 isoform 1, CDC3 isoform 1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Saladino, G.C.R, Leonardo, D.A, Pereira, H.M, Garratt, R.C.
登録日2023-04-12
公開日2023-06-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A key piece of the puzzle: The central tetramer of the Saccharomyces cerevisiae septin protofilament and its implications for self-assembly.
J.Struct.Biol., 215, 2023
7QYS
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BU of 7qys by Molmil
Crystal structure of RimK from Pseudomonas syringae DC3000
分子名称: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase
著者Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
登録日2022-01-29
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
6FM6
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BU of 6fm6 by Molmil
Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
分子名称: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL
著者Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2018-01-30
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
7R8P
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BU of 7r8p by Molmil
Open form of SAOUHSC_02373 in complex with ADP, Mg2+ and Na+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CHLORIDE ION, ...
著者Pederick, J.L, Bruning, J.B.
登録日2021-06-27
公開日2022-09-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
7LVN
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BU of 7lvn by Molmil
Solution structure of tarantula toxin omega-Avsp1a
分子名称: Omega-Avsp1a
著者Chin, Y.K.Y, Herzig, V, King, G.F.
登録日2021-02-26
公開日2022-03-02
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献The Tarantula Toxin omega-Avsp1a Specifically Inhibits Human Ca V 3.1 and Ca V 3.3 via the Extracellular S3-S4 Loop of the Domain 1 Voltage-Sensor.
Biomedicines, 10, 2022
7P6M
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BU of 7p6m by Molmil
Hydrogenated refolded hen egg-white lysozyme
分子名称: ACETATE ION, Lysozyme C, NITRATE ION
著者Ramos, J, Laux, V, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E.
登録日2021-07-16
公開日2021-12-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献The impact of folding modes and deuteration on the atomic resolution structure of hen egg-white lysozyme.
Acta Crystallogr D Struct Biol, 77, 2021
6FO8
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BU of 6fo8 by Molmil
Vitamin D nuclear receptor complex 4
分子名称: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2018-02-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aromatic-Based Design of Highly Active and Noncalcemic Vitamin D Receptor Agonists.
J. Med. Chem., 61, 2018
6FVR
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BU of 6fvr by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - sTeLIC in complex with Cesium ions (Cs+)
分子名称: CESIUM ION, Cys-loop ligand-gated ion channel, nonyl beta-D-glucopyranoside
著者Hu, H, Delarue, M.
登録日2018-03-05
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7R8Q
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BU of 7r8q by Molmil
Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ...
著者Pederick, J.L, Bruning, J.B.
登録日2021-06-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism.
J.Biol.Chem., 298, 2022
9DV9
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BU of 9dv9 by Molmil
The AMP-bound structure of AckA from Treponema vincentii
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Acetate kinase, ...
著者Brautigam, C.A, Deka, R.K.
登録日2024-10-05
公開日2025-01-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Biophysical and biochemical evidence for the role of acetate kinases (AckAs) in an acetogenic pathway in pathogenic spirochetes.
Plos One, 20, 2025
1IPJ
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BU of 1ipj by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT AND NATIVE SOYBEAN BETA-CONGLYCININ BETA HOMOTRIMERS COMPLEXES WITH N-ACETYL-D-GLUCOSAMINE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-CONGLYCININ, BETA CHAIN
著者Maruyama, N, Adachi, M, Takahashi, K, Yagasaki, K, Kohno, M, Takenaka, Y, Okuda, E, Nakagawa, S, Mikami, B, Utsumi, S.
登録日2001-05-16
公開日2002-05-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of recombinant and native soybean beta-conglycinin beta homotrimers.
Eur.J.Biochem., 268, 2001
6G4Y
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BU of 6g4y by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a
分子名称: 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Hole, A.J, Hymowitz, S.G, McEwan, P.A.
登録日2018-03-28
公開日2018-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
7PRG
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BU of 7prg by Molmil
Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-21
公開日2022-01-12
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
9DV8
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BU of 9dv8 by Molmil
The Apo structure of AckA from Treponema vincentii
分子名称: 1,2-ETHANEDIOL, Acetate kinase
著者Brautigam, C.A, Deka, R.K.
登録日2024-10-05
公開日2025-01-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Biophysical and biochemical evidence for the role of acetate kinases (AckAs) in an acetogenic pathway in pathogenic spirochetes.
Plos One, 20, 2025
6FMF
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BU of 6fmf by Molmil
Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure
分子名称: (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid
著者Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P.
登録日2018-01-31
公開日2018-10-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.811 Å)
主引用文献Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
7PSY
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BU of 7psy by Molmil
X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
8W1U
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BU of 8w1u by Molmil
SARS-CoV-2 Main protease bound to non-covalent lead molecule NZ-804
分子名称: 11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Bian, X, Tang, S, Sacchettini, J.C.
登録日2024-02-18
公開日2024-11-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An oral non-covalent non-peptidic inhibitor of SARS-CoV-2 Mpro ameliorates viral replication and pathogenesis in vivo.
Cell Rep, 43, 2024
7LXQ
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BU of 7lxq by Molmil
Collagen Mimetic Peptide with a Yaa-position Aza-proline
分子名称: Collagen mimetic peptide
著者Melton, S.D, Harris, T, Chenoweth, D.M.
登録日2021-03-04
公開日2022-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Collagen Mimetic Peptide with a Yaa-position Aza-proline
To Be Published
7PT2
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BU of 7pt2 by Molmil
Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) mutant E493Q structure in complex with substrate 2-HIB-CoA and inactive cofactor 3-deaza-ThDP
分子名称: 2-hydroxyacyl-CoA lyase, 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ...
著者Zahn, M, Rohwerder, T.
登録日2021-09-25
公開日2022-02-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
J.Biol.Chem., 298, 2022
6FZ3
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BU of 6fz3 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
分子名称: 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
著者Kersten, F.C, Brenk, R.
登録日2018-03-13
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
6FZO
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SMURFP-Y56F mutant
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Janowski, R, Fuenzalida-Wernera, J.P, Mishra, K, Vetschera, P, Weidenfeld, I, Richter, K, Niessing, D, Ntziachristos, V, Stiel, A.C.
登録日2018-03-15
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a biliverdin-bound phycobiliprotein: Interdependence of oligomerization and chromophorylation.
J. Struct. Biol., 204, 2018

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