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7LL9
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BU of 7ll9 by Molmil
D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A
分子名称: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2
著者Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
登録日2021-02-03
公開日2021-03-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
6QCU
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Crystal structure of a Fab portion of the anti EBOV 3T0331 antibody
分子名称: Heavy chain, Light chain, SULFATE ION
著者Diskin, R, Cohen-Dvashi, H.
登録日2018-12-31
公開日2019-10-02
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献rVSV-ZEBOV induces a polyclonal and convergent B cell response with potent Ebola virus-neutralizing antibodies
Nat.Med. (N.Y.), 2019
6JQ3
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BU of 6jq3 by Molmil
Crystal Structure of H2-Kb in complex with a DPAGT1 mutant peptide
分子名称: Beta-2-microglobulin, DPAGT1 mutant antigen SIIVFNLL, H-2 class I histocompatibility antigen, ...
著者Bai, P, Zhou, Q, Wei, P, Yin, L.
登録日2019-03-28
公開日2020-05-06
最終更新日2021-02-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
7LBR
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BU of 7lbr by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-89
分子名称: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, GLYCEROL, Non-structural protein 3, ...
著者Ratia, K.M, Xiong, R, Thatcher, G.R.
登録日2021-01-08
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021
6C5D
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BU of 6c5d by Molmil
N-terminal domain of Helicobacter pylori LlaJI.R1
分子名称: LlaJI.R1
著者Hosford, C.J, Chappie, J.S.
登録日2018-01-16
公開日2018-06-27
最終更新日2018-08-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The crystal structure of theHelicobacter pyloriLlaJI.R1 N-terminal domain provides a model for site-specific DNA binding.
J. Biol. Chem., 293, 2018
7QAY
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BU of 7qay by Molmil
Crystal structure of a cyclodipeptide synthase from Parcubacteria bacterium RAAC4_OD1_1, Y55F mutant
分子名称: Cyclodipeptide synthase
著者Sutherland, E, Harding, C.J, Czekster, C.M.
登録日2021-11-17
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Active site remodelling of a cyclodipeptide synthase redefines substrate scope.
Commun Chem, 5, 2022
8A9Q
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BU of 8a9q by Molmil
Computational design of stable mammalian serum albumins for bacterial expression
分子名称: Albumin, LAURIC ACID, MYRISTIC ACID, ...
著者Khersonsky, O, Dym, O, Fleishman, J.S.
登録日2022-06-29
公開日2023-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Stable Mammalian Serum Albumins Designed for Bacterial Expression.
J.Mol.Biol., 435, 2023
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
分子名称: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
6JPT
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Crystal structure of human PAC3 homodimer (trigonal form)
分子名称: POTASSIUM ION, Proteasome assembly chaperone 3, THIOCYANATE ION
著者Satoh, T, Yagi-Utsumi, M, Okamoto, K, Kurimoto, E, Tanaka, K, Kato, K.
登録日2019-03-27
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Molecular and Structural Basis of the Proteasome alpha Subunit Assembly Mechanism Mediated by the Proteasome-Assembling Chaperone PAC3-PAC4 Heterodimer.
Int J Mol Sci, 20, 2019
8AI8
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BU of 8ai8 by Molmil
Crystal structure of glutathione transferase Chi 1 from Synechocystis sp. PCC 6803 in complex with glutathione
分子名称: GLUTATHIONE, Glutathione S-transferase family protein
著者Didierjean, C.
登録日2022-07-25
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and Structural Characterization of Chi-Class Glutathione Transferases: A Snapshot on the Glutathione Transferase Encoded by sll0067 Gene in the Cyanobacterium Synechocystis sp. Strain PCC 6803.
Biomolecules, 12, 2022
6FPF
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BU of 6fpf by Molmil
Structure of the Ustilago maydis chorismate mutase 1
分子名称: Chromosome 16, whole genome shotgun sequence, MANGANESE (II) ION
著者Altegoer, F, Steinchen, W, Bange, G.
登録日2018-02-09
公開日2019-01-16
最終更新日2019-02-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
7LOT
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BU of 7lot by Molmil
Human PPAR Gamma LBD in Complex with Tetrazole Compound N-{3-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine.
分子名称: Peroxisome proliferator-activated receptor gamma, ~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine
著者de Paula, K, Nascimento, A.S.
登録日2021-02-10
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Tetrazoles as PPAR gamma ligands: A structural and computational investigation.
J.Mol.Graph.Model., 106, 2021
7QOA
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BU of 7qoa by Molmil
Structure of CodB, a cytosine transporter in an outward-facing conformation
分子名称: 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ...
著者Hatton, C.E, Cameron, A.D.
登録日2021-12-23
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
6QDY
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BU of 6qdy by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with its substrate urea
分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
登録日2019-01-03
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.416 Å)
主引用文献The Structure of the Elusive Urease-Urea Complex Unveils the Mechanism of a Paradigmatic Nickel-Dependent Enzyme.
Angew.Chem.Int.Ed.Engl., 58, 2019
7QNK
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BU of 7qnk by Molmil
Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution
分子名称: ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M.
登録日2021-12-21
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
5FVY
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BU of 5fvy by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine
分子名称: 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2016-02-10
公開日2016-04-20
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
8SM8
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BU of 8sm8 by Molmil
Air-oxidized A. ca TruffO expressed from M9 minimal medium supplemented with Fe
分子名称: FE (III) ION, MAGNESIUM ION, Putative amidohydrolase, ...
著者Liu, C, Rittle, J.
登録日2023-04-25
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioinformatic Discovery of a Cambialistic Monooxygenase.
J.Am.Chem.Soc., 146, 2024
7QOR
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BU of 7qor by Molmil
Structure of beta-lactamase TEM-171
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M.
登録日2021-12-28
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
5UV4
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BU of 5uv4 by Molmil
Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative leucine-rich repeat protein kinase family protein
著者Counago, R.M, Aquino, B, Massirer, K.B, Gileadi, O, Arruda, P, Structural Genomics Consortium (SGC)
登録日2017-02-17
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP
To Be Published
6YMH
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BU of 6ymh by Molmil
X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP
分子名称: FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ...
著者Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A.
登録日2020-04-08
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.417 Å)
主引用文献Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
8AS2
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BU of 8as2 by Molmil
Structure of arrestin2 in complex with 4P CCR5 phosphopeptide and Fab30
分子名称: Beta-arrestin-1, C-C chemokine receptor type 5, Fab30 heavy chain, ...
著者Isaikina, P, Jakob, R.P, Maier, T, Grzesiek, S.
登録日2022-08-18
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
6QEO
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BU of 6qeo by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC269
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2019-01-08
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
8SMA
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BU of 8sma by Molmil
SfbO with di-Manganese cofactor
分子名称: Amidohydrolase family protein, MANGANESE (II) ION, SULFATE ION
著者Liu, C, Rittle, J.
登録日2023-04-25
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bioinformatic Discovery of a Cambialistic Monooxygenase.
J.Am.Chem.Soc., 146, 2024
6YPW
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BU of 6ypw by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide
分子名称: 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-16
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
6G0J
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BU of 6g0j by Molmil
Inactive Fe-PP1
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Salvi, F, Barabas, O, Koehn, M.
登録日2018-03-18
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Effects of stably incorporated iron on protein phosphatase-1 structure and activity.
FEBS Lett., 592, 2018

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件を2024-08-28に公開中

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