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1LEJ
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BU of 1lej by Molmil
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'
Descriptor: 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
Authors:Urbach, A.R, Love, J.J, Ross, S.A, Dervan, P.B.
Deposit date:2002-04-09
Release date:2002-05-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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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BU of 7dv1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.966 Å)
Cite: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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BU of 7duz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 7du1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-07
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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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BU of 7due by Molmil
Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.799 Å)
Cite: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
Descriptor: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite: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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BU of 7dyy by Molmil
Crystal structure of VIM-2 MBL in complex with 1-((2-aminobenzo[d]thiazol-6-yl)methyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, DI(HYDROXYETHYL)ETHER, ...
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.798 Å)
Cite: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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BU of 7dz1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
Descriptor: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.708 Å)
Cite: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
Descriptor: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.227 Å)
Cite: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
Descriptor: Insulin A chain, Insulin B chain, Insulin receptor, ...
Authors:Scapin, G, Dandey, V.P, Zhang, Z, Strickland, C, Potter, C.S, Carragher, B.
Deposit date:2018-02-11
Release date:2018-03-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite: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
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.16 Å)
Cite: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
Descriptor: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', MAGNESIUM ION, SODIUM ION
Authors:Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
Deposit date:2014-08-19
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite: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
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Carr, S.B, Phillips, S.E.V, Armstrong, F.A, Evans, R.M, Brooke, E.J, Islam, S.T.A.
Deposit date:2016-05-06
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2010-04-25
Release date:2010-08-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
8DVW
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BU of 8dvw by Molmil
Structure of the Campylobacter concisus glycosyltransferase PglA R203Q
Descriptor: N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
Authors:Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N.
Deposit date:2022-07-30
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA.
Protein Sci., 33, 2024
8DVZ
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BU of 8dvz by Molmil
Structure of the Campylobacter concisus glycosyltransferase PglA R282V variant
Descriptor: N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
Authors:Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N.
Deposit date:2022-07-30
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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
Descriptor: N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
Authors:Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N.
Deposit date:2022-07-18
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: HIV-1 Gag CTD-SP1
Authors:Pornillos, O, Wagner, J.M, Zadrozny, K.K, Ganser-Pornillos, B.K.
Deposit date:2016-09-22
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.046 Å)
Cite: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
Descriptor: OCT-2 POU HOMEODOMAIN
Authors:Sivaraja, M, Botfield, M.C, Mueller, M, Jancso, A, Weiss, M.A.
Deposit date:1994-03-08
Release date:1995-01-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: 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', ...
Authors: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.
Deposit date:2010-04-25
Release date:2010-08-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.35 Å)
Cite: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
Descriptor: 6256 TCR alpha chain, 6256 TCR beta chain, H-2 class II histocompatibility antigen, ...
Authors:Blevins, S.J, Stadinski, B.D, Huseby, E.S.
Deposit date:2018-10-02
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: Insulin A chain, Insulin B chain
Authors:Menting, J.G, Lawrence, M.C, Robinson, A.J, Forbes, B.E.
Deposit date:2016-09-05
Release date:2017-12-06
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: 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, ...
Authors:Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-04-06
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
6HXG
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BU of 6hxg by Molmil
PDX1.2/PDX1.3 complex (intermediate)
Descriptor: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
Authors:Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
Deposit date:2018-10-17
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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數據於2024-08-14公開中

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