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7UYD
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BU of 7uyd by Molmil
Inhibitor bound VIM1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYC
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BU of 7uyc by Molmil
Inhibitor bound VIM1
Descriptor: (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYA
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BU of 7uya by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYB
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BU of 7uyb by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7DML
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BU of 7dml by Molmil
OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
Descriptor: 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, Beta-lactamase
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2020-12-04
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance
Chem.Commun.(Camb.), 57, 2021
7JTG
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BU of 7jtg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody RM11-43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-08-17
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:HCV Env immunization elicits a rapid VH1-69-like broadly neutralizing antibody response in rhesus macaques
Immunity, 2021
7JTF
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BU of 7jtf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody RM2-01
Descriptor: Envelope glycoprotein E2, RM2-01 Fab heavy chain, RM2-01 Fab light chain
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-08-17
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:HCV Env immunization elicits a rapid VH1-69-like broadly neutralizing antibody response in rhesus macaques
Immunity, 2021
7E9A
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BU of 7e9a by Molmil
Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
Descriptor: 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-03-03
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
6J72
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BU of 6j72 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis with GTP bound
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ...
Authors:Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
Deposit date:2019-01-16
Release date:2019-09-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
6J73
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BU of 6j73 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis
Descriptor: Isoniazid inducible gene protein IniA
Authors:Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
Deposit date:2019-01-16
Release date:2019-09-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.211 Å)
Cite:Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
8I6K
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BU of 8i6k by Molmil
Structure of hMNDA HIN with dsDNA
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ...
Authors:Li, Y.L, Jin, T.C.
Deposit date:2023-01-28
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism of dsDNA recognition by the hMNDA HIN domain: New insights into the DNA-binding model of a PYHIN protein.
Int.J.Biol.Macromol., 245, 2023
7ESQ
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BU of 7esq by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PYROPHOSPHATE, ...
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
7ESV
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BU of 7esv by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: D(-)-TARTARIC ACID, Packaging NTPase
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
7ESO
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BU of 7eso by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: Packaging NTPase
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
7ESP
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BU of 7esp by Molmil
Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY
Descriptor: D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER, Packaging NTPase
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-05-11
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure and mutation analysis of the hexameric P4 from Pseudomonas aeruginosa phage phiYY.
Int.J.Biol.Macromol., 194, 2022
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数据于2024-06-12公开中

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