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7M5I
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Endolysin from Escherichia coli O157:H7 phage FAHEc1
分子名称: Endolysin, PHOSPHATE ION
著者Love, M.J, Coombes, D, Billington, C, Dobson, R.C.J.
登録日2021-03-24
公開日2021-08-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The Molecular Basis for Escherichia coli O157:H7 Phage FAHEc1 Endolysin Function and Protein Engineering to Increase Thermal Stability.
Viruses, 13, 2021
8T94
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BU of 8t94 by Molmil
Influenza PAN endonuclease with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-23
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
7P9T
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BU of 7p9t by Molmil
Crystal structure of CD73 in complex with dCMP in the open form
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-nucleotidase, CALCIUM ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-27
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7MDS
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BU of 7mds by Molmil
Crystal structure of AtDHDPS1 in complex with MBDTA-2
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase 1, chloroplastic, CHLORIDE ION, ...
著者Hall, C.J, Soares da Costa, T.P, Panjikar, S.
登録日2021-04-06
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Towards novel herbicide modes of action by inhibiting lysine biosynthesis in plants.
Elife, 10, 2021
7P46
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Crystal Structure of Xanthomonas campestris Tryptophan 2,3-dioxygenase (TDO)
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CYANIDE ION, GLYCEROL, ...
著者Kwon, H, Basran, J, Booth, E.S, Campbell, L.P, Thackray, S.J, Moody, P.C.E, Mowat, C.G, Raven, E.L.
登録日2021-07-09
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of l-kynurenine to X. campestris tryptophan 2,3-dioxygenase.
J.Inorg.Biochem., 225, 2021
7MLR
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BU of 7mlr by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34)
分子名称: 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ...
著者Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-04-28
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
7TSX
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BU of 7tsx by Molmil
Structure of Enterobacter cloacae Cap2 bound to CdnD02 C-terminus, Apo state
分子名称: Cap2, Cyclic AMP-AMP-GMP synthase
著者Ye, Q, Gu, Y, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D.
登録日2022-01-31
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An E1-E2 fusion protein primes antiviral immune signalling in bacteria.
Nature, 616, 2023
6LOL
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BU of 6lol by Molmil
The crystal structure of full length IpaH9.8
分子名称: E3 ubiquitin-protein ligase ipaH9.8
著者Ye, Y, Huang, H.
登録日2020-01-06
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8.
Commun Biol, 3, 2020
8QA8
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BU of 8qa8 by Molmil
Crystal structure of the C-terminally truncated transcriptional repressor protein KorB from the RK2 plasmid complexed with CTP-gamma-S
分子名称: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, Transcriptional repressor protein KorB
著者McLean, T.C, Mundy, J.E.A, Lawson, D.M, Le, T.B.K.
登録日2023-08-22
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the C-terminally truncated transcriptional repressor protein KorB from the RK2 plasmid complexed with CTP-gamma-S
To Be Published
7TND
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BU of 7tnd by Molmil
The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid
分子名称: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-20
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
5FJC
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BU of 5fjc by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant C-2bU
分子名称: BARIUM ION, MAGNESIUM ION, POTASSIUM ION, ...
著者Huang, L, Lilley, D.M.J.
登録日2015-10-07
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
7M1C
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BU of 7m1c by Molmil
Crystal structure of the HCMV pentamer-specific antibody 1-32
分子名称: 1-32 Fab Heavy Chain, 1-32 Fab Light Chain
著者Wrapp, D, McLellan, J.S.
登録日2021-03-12
公開日2021-08-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies.
Sci Adv, 8, 2022
5FJL
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BU of 5fjl by Molmil
Crystal structure of raptor adenovirus 1 fibre head, wild-type form
分子名称: CHLORIDE ION, FIBER PROTEIN
著者Nguyen, T.H, van Raaij, M.J.
登録日2015-10-09
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal Structure of Raptor Adenovirus 1 Fibre Head and Role of the Beta-Hairpin in Siadenovirus Fibre Head Domains
Virol.J., 13, 2016
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
著者Boraston, A.B.
登録日2021-04-09
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7P53
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BU of 7p53 by Molmil
Crystal Structure of Human gamma-D-crystallin mutant C110M at 1.57 Angstroms resolution
分子名称: Gamma-crystallin D
著者Strofaldi, A, Khan, A.R, McManus, J.
登録日2021-07-14
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Surface Exposed Free Cysteine Suppresses Crystallization of Human gamma D-Crystallin.
J.Mol.Biol., 433, 2021
7MLQ
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BU of 7mlq by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26)
分子名称: 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ...
著者Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-04-28
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
分子名称: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
著者Scaletti, E.R, Strater, N.
登録日2021-07-28
公開日2021-10-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7TNF
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BU of 7tnf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid
分子名称: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-21
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
5BZ3
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BU of 5bz3 by Molmil
CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION.
分子名称: (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, Na(+)/H(+) antiporter
著者Coincon, M, Uzdavinys, P, Emmanuel, N, Cameron, A, Drew, D.
登録日2015-06-11
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016
7TNU
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BU of 7tnu by Molmil
The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid
分子名称: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-21
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
5TJE
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BU of 5tje by Molmil
Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14
分子名称: ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ...
著者Achour, A, Sandalova, T, Allerbring, E, Popov, A.
登録日2016-10-04
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
to be published
5FK6
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BU of 5fk6 by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is CA
分子名称: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
著者Huang, L, Lilley, D.M.J.
登録日2015-10-14
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
8Q9U
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BU of 8q9u by Molmil
S-methylthiourocanate hydratase, variant R450A, from Variovorax sp. RA8 in complex with NAD+
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, urocanate hydratase
著者Vasseur, C.M, Seebeck, F.P.
登録日2023-08-21
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Substrate Specificity of S -Methyl Thiourocanate Hydratase.
Acs Chem.Biol., 19, 2024
5BZY
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BU of 5bzy by Molmil
X-ray crystal structure of a continuously hydrogen bonded 14mer DNA lattice.
分子名称: DNA (5'-D(*GP*GP*AP*AP*AP*TP*AP*TP*TP*GP*GP*AP*GP*A)-3'), MAGNESIUM ION
著者Saoji, M, Paukstelis, P.J.
登録日2015-06-11
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequence-dependent structural changes in a self-assembling DNA oligonucleotide.
Acta Crystallogr.,Sect.D, 71, 2015
5FLP
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BU of 5flp by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: 5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-10-28
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016

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件を2024-10-30に公開中

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