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PDB: 2998 件

5ABF
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BU of 5abf by Molmil
Structure of GH84 with ligand
分子名称: 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
著者Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
登録日2015-08-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4ZZA
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BU of 4zza by Molmil
Raffinose and panose binding protein from Bifidobacterium animalis subsp. lactis Bl-04, bound with raffinose, selenomethionine derivative
分子名称: Sugar binding protein of ABC transporter system, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose
著者Fredslund, F, Ejby, M, Andersen, J.M, Slotboom, D.J, Abou Hachem, M.
登録日2015-05-22
公開日2016-06-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献An ATP Binding Cassette Transporter Mediates the Uptake of alpha-(1,6)-Linked Dietary Oligosaccharides in Bifidobacterium and Correlates with Competitive Growth on These Substrates.
J. Biol. Chem., 291, 2016
4PE0
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BU of 4pe0 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi4434
分子名称: 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Pierce, P.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
登録日2014-04-22
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
5A58
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BU of 5a58 by Molmil
The structure of GH101 D764N mutant from Streptococcus pneumoniae TIGR4 in complex with serinyl T-antigen
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
4ZM5
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BU of 4zm5 by Molmil
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant
分子名称: CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION
著者Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R.
登録日2015-05-02
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
4ZQL
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BU of 4zql by Molmil
Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
分子名称: 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ...
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-05-10
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
To Be Published
4ZNP
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BU of 4znp by Molmil
The structure of A pfI Riboswitch Bound to ZMP
分子名称: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, MAGNESIUM ION, pfI Riboswitch
著者Ren, A, Patel, D.J, Rajashankar, R.K.
登録日2015-05-05
公開日2015-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Global RNA Fold and Molecular Recognition for a pfl Riboswitch Bound to ZMP, a Master Regulator of One-Carbon Metabolism.
Structure, 23, 2015
5ABG
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BU of 5abg by Molmil
Structure of GH84 with ligand
分子名称: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
著者Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
登録日2015-08-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4ZVU
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BU of 4zvu by Molmil
Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho
分子名称: Caspase-7, Tetrapeptide Inhibitor Ac-VEID-CHO
著者Hardy, J.A, MacPherson, D.J, Hill, M.E.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVQ
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BU of 4zvq by Molmil
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor.
分子名称: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASA
著者Hill, M.E, MacPherson, D.J, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
5A7H
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BU of 5a7h by Molmil
Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1
分子名称: IODIDE ION, LIVER CARBOXYLESTERASE 1
著者Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J.
登録日2015-07-04
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
5A57
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BU of 5a57 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT
分子名称: (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
7SDE
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BU of 7sde by Molmil
Cryo-EM structure of Nse5/6 heterodimer
分子名称: Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera
著者Yu, Y, Patel, D.J, Zhao, X.L.
登録日2021-09-29
公開日2021-10-13
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The cryo-EM structure of Nse5/6 complex with the C terminal part of Nse5
To Be Published
7R76
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BU of 7r76 by Molmil
Cryo-EM structure of DNMT5 in apo state
分子名称: DNA repair protein Rad8, ZINC ION
著者Wang, J, Patel, D.J.
登録日2021-06-24
公開日2022-02-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
7R77
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BU of 7r77 by Molmil
Cryo-EM structure of DNMT5 binary complex with hemimethylated DNA
分子名称: DNA (5'-D(P*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), DNA repair protein Rad8, ZINC ION
著者Wang, J, Patel, D.J.
登録日2021-06-24
公開日2022-02-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
7R78
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BU of 7r78 by Molmil
cryo-EM structure of DNMT5 quaternary complex with hemimethylated DNA, AMP-PNP and SAH
分子名称: DNA (5'-D(*TP*GP*CP*GP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(P*CP*AP*GP*(5CM)P*GP*CP*AP*T)-3'), DNA repair protein Rad8, ...
著者Wang, J, Patel, D.J.
登録日2021-06-24
公開日2022-02-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
4PDZ
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BU of 4pdz by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi4172
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
登録日2014-04-22
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
4PE4
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BU of 4pe4 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SC1475
分子名称: 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
登録日2014-04-22
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.178 Å)
主引用文献Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
4Z6I
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BU of 4z6i by Molmil
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
分子名称: Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
著者Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
登録日2015-04-05
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A5D
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BU of 5a5d by Molmil
A complex of the synthetic siderophore analogue Fe(III)-5-LICAM with the CeuE periplasmic protein from Campylobacter jejuni
分子名称: ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
著者Blagova, E, Hughes, A, Moroz, O.V, Raines, D.J, Wilde, E.J, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
登録日2015-06-17
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
5A56
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BU of 5a56 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015
5A7G
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BU of 5a7g by Molmil
Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1
著者Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J.
登録日2015-07-04
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
5A7F
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Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1, PHOSPHATE ION
著者Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J.
登録日2015-07-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022

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