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PDB: 9 results

7NRF
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BU of 7nrf by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ...
Authors:Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S.
Deposit date:2021-03-03
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
7NRE
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BU of 7nre by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ...
Authors:Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S.
Deposit date:2021-03-03
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
7NRI
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BU of 7nri by Molmil
Structure of the darobactin-bound E. coli BAM complex (BamABCDE)
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S.
Deposit date:2021-03-03
Release date:2021-04-21
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
7UGW
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BU of 7ugw by Molmil
M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin
Descriptor: DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Hauk, G, Imai, Y, Lewis, K, Berger, J.M.
Deposit date:2022-03-25
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis.
Nat.Chem.Biol., 18, 2022
1WY9
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BU of 1wy9 by Molmil
Crystal structure of microglia-specific protein, Iba1
Descriptor: Allograft inflammatory factor 1, CALCIUM ION
Authors:Yamada, M, Imai, Y, Kohsaka, S, Kamitori, S.
Deposit date:2005-02-09
Release date:2006-02-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Structures of the Microglia/Macrophage-specific Protein Iba1 from Human and Mouse Demonstrate Novel Molecular Conformation Change Induced by Calcium binding
J.Mol.Biol., 364, 2006
8JYG
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BU of 8jyg by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2023-07-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor.
Bioorg.Med.Chem., 93, 2023
2CYX
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BU of 2cyx by Molmil
Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7)
Descriptor: Ubiquitin-conjugating enzyme E2 G2
Authors:Yoshikawa, S, Arai, R, Murayama, K, Imai, Y, Takahashi, R, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-07-08
Release date:2006-04-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7)
Acta Crystallogr.,Sect.F, 62, 2006
7YI7
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BU of 7yi7 by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2022-07-15
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
7YJC
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BU of 7yjc by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
Descriptor: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
Authors:Mima, M, Fujimoto, N, Imai, Y.
Deposit date:2022-07-19
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022

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