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1LEJ
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NMR Structure of a 1:1 Complex of Polyamide (Im-Py-Beta-Im-Beta-Im-Py-Beta-Dp) with the Tridecamer DNA Duplex 5'-CCAAAGAGAAGCG-3'
分子名称: 5'-D(*CP*CP*AP*AP*AP*GP*AP*GP*AP*AP*GP*CP*G)-3', 5'-D(*CP*GP*CP*TP*TP*CP*TP*CP*TP*TP*TP*GP*G)-3', IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
著者Urbach, A.R, Love, J.J, Ross, S.A, Dervan, P.B.
登録日2002-04-09
公開日2002-05-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of a beta-alanine-linked polyamide bound to a full helical turn of purine tract DNA in the 1:1 motif.
J.Mol.Biol., 320, 2002
7DV1
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Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUZ
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Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid
分子名称: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-12
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DU1
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Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid
分子名称: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-07
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUE
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Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-08
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUB
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BU of 7dub by Molmil
Crystal structure of VIM-2 MBL in complex with 1-isopropyl-1H-imidazole-2-carboxylic acid
分子名称: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-08
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DYY
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Crystal structure of VIM-2 MBL in complex with 1-((2-aminobenzo[d]thiazol-6-yl)methyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, DI(HYDROXYETHYL)ETHER, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DZ1
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Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DZ0
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BU of 7dz0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.227 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
6CE7
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BU of 6ce7 by Molmil
Insulin Receptor ectodomain in complex with one insulin molecule
分子名称: Insulin A chain, Insulin B chain, Insulin receptor, ...
著者Scapin, G, Dandey, V.P, Zhang, Z, Strickland, C, Potter, C.S, Carragher, B.
登録日2018-02-11
公開日2018-03-14
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Structure of the insulin receptor-insulin complex by single-particle cryo-EM analysis.
Nature, 556, 2018
7M0V
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BU of 7m0v by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
4R4D
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BU of 4r4d by Molmil
Racemic crystal structure of a magnesium-bound B-DNA duplex
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', MAGNESIUM ION, SODIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
5JRD
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BU of 5jrd by Molmil
E. coli Hydrogenase-1 variant P508A
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A.
登録日2016-05-06
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Importance of the Active Site "Canopy" Residues in an O2-Tolerant [NiFe]-Hydrogenase.
Biochemistry, 56, 2017
6NCH
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BU of 6nch by Molmil
Crystal structure of CDP-Chase: Raster data collection
分子名称: D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ...
著者Miller, M.S, Shi, W, Gabelli, S.B.
登録日2018-12-11
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
2XCS
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BU of 2xcs by Molmil
The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA
分子名称: 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ...
著者Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
登録日2010-04-25
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
8DVW
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Structure of the Campylobacter concisus glycosyltransferase PglA R203Q
分子名称: N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
著者Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N.
登録日2022-07-30
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA.
Protein Sci., 33, 2024
8DVZ
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Structure of the Campylobacter concisus glycosyltransferase PglA R282V variant
分子名称: N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
著者Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N.
登録日2022-07-30
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA.
Protein Sci., 33, 2024
8DQD
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BU of 8dqd by Molmil
Structure of the Campylobacter concisus glycosyltransferase PglA
分子名称: N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
著者Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N.
登録日2022-07-18
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA.
Protein Sci., 33, 2024
5TEO
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BU of 5teo by Molmil
Dimer of HIV-1 Gag CTD-SP1 fragment
分子名称: HIV-1 Gag CTD-SP1
著者Pornillos, O, Wagner, J.M, Zadrozny, K.K, Ganser-Pornillos, B.K.
登録日2016-09-22
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献To be published
To Be Published
1HDP
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BU of 1hdp by Molmil
SOLUTION STRUCTURE OF A POU-SPECIFIC HOMEODOMAIN: 3D-NMR STUDIES OF HUMAN B-CELL TRANSCRIPTION FACTOR OCT-2
分子名称: OCT-2 POU HOMEODOMAIN
著者Sivaraja, M, Botfield, M.C, Mueller, M, Jancso, A, Weiss, M.A.
登録日1994-03-08
公開日1995-01-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of a POU-specific homeodomain: 3D-NMR studies of human B-cell transcription factor Oct-2.
Biochemistry, 33, 1994
2XCT
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BU of 2xct by Molmil
The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA
分子名称: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ...
著者Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
登録日2010-04-25
公開日2010-08-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
6MNM
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BU of 6mnm by Molmil
6256 TCR bound to I-Ab Padi4
分子名称: 6256 TCR alpha chain, 6256 TCR beta chain, H-2 class II histocompatibility antigen, ...
著者Blevins, S.J, Stadinski, B.D, Huseby, E.S.
登録日2018-10-02
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development.
Nat.Immunol., 20, 2019
5T7R
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BU of 5t7r by Molmil
A6-A11 trans-dicarba human insulin
分子名称: Insulin A chain, Insulin B chain
著者Menting, J.G, Lawrence, M.C, Robinson, A.J, Forbes, B.E.
登録日2016-09-05
公開日2017-12-06
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Insulin in motion: The A6-A11 disulfide bond allosterically modulates structural transitions required for insulin activity.
Sci Rep, 7, 2017
7ZHN
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BU of 7zhn by Molmil
Crystal structure of TTBK1 in complex with AMG28
分子名称: 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ...
著者Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-04-06
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
6HXG
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PDX1.2/PDX1.3 complex (intermediate)
分子名称: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
著者Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
登録日2018-10-17
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019

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