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7L2F
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BU of 7l2f by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 5-24 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-24 heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L2D
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BU of 7l2d by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 1-87 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 1-87 heavy chain, 1-87 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
5XJG
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BU of 5xjg by Molmil
Crystal structure of Vac8p bound to Nvj1p
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Nucleus-vacuole junction protein 1, ...
著者Jeong, H, Park, J, Jun, Y, Lee, C.
登録日2017-05-01
公開日2017-06-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic insight into the nucleus-vacuole junction based on the Vac8p-Nvj1p crystal structure.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7T7G
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BU of 7t7g by Molmil
Imipenem-OXA-23 2 minute complex
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23
著者Smith, C.A, Stewart, N.K, Vakulenko, S.B.
登録日2021-12-15
公開日2022-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7F
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BU of 7t7f by Molmil
MA-1-206-OXA-23 25 minute complex
分子名称: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
著者Smith, C.A, Stewart, N.K, Vakulenko, S.B.
登録日2021-12-15
公開日2022-05-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7D
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BU of 7t7d by Molmil
MA-1-206-OXA-23 30s complex
分子名称: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
著者Smith, C.A, Stewart, N.K, Vakulenko, S.B.
登録日2021-12-15
公開日2022-05-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
7T7E
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BU of 7t7e by Molmil
MA-1-206-OXA-23 3 minute complex
分子名称: (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23
著者Smith, C.A, Stewart, N.K, Vakulenko, S.B.
登録日2021-12-15
公開日2022-05-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
6KBN
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BU of 6kbn by Molmil
Crystal structure of Vac8 (del 19-33) bound to Atg13
分子名称: Autophagy-related protein 13, Vacuolar protein 8
著者Park, J, Lee, C.
登録日2019-06-25
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Quaternary structures of Vac8 differentially regulate the Cvt and PMN pathways.
Autophagy, 16, 2020
6KV1
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BU of 6kv1 by Molmil
Structure of wild type closed form of peptidoglycan peptidase ZN SAD
分子名称: CITRIC ACID, Peptidase M23, ZINC ION
著者Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
登録日2019-09-03
公開日2020-01-15
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.722 Å)
主引用文献Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6I0N
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BU of 6i0n by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-26
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I09
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BU of 6i09 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan obtained by soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-25
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I0A
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BU of 6i0a by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with nuded glycan obtained by co-crystallization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-25
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6I05
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BU of 6i05 by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa
分子名称: Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-25
公開日2019-11-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.213 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
分子名称: BB1
著者Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
登録日2018-04-10
公開日2018-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
5MMH
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BU of 5mmh by Molmil
The X-Ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa
分子名称: HTH-type transcriptional activator AmpR
著者Hermoso, J.A, Dominguez gil Velasco, T.
登録日2016-12-09
公開日2017-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Muropeptide Binding and the X-ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
6PIB
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BU of 6pib by Molmil
Structure of the Klebsiella pneumoniae LpxH-AZ1 complex
分子名称: 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ...
著者Cho, J, Zhou, P.
登録日2019-06-26
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PH9
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BU of 6ph9 by Molmil
Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cho, J, Zhou, P.
登録日2019-06-25
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PJ3
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BU of 6pj3 by Molmil
Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 complex
分子名称: 1,2-ETHANEDIOL, 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, ...
著者Cho, J, Zhou, P.
登録日2019-06-27
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6R5V
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BU of 6r5v by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5P
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BU of 6r5p by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with glucose
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5U
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BU of 6r5u by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant from P. aeruginosa in complex with laminaritriose
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5T
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The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with lactose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5N
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BU of 6r5n by Molmil
The crystal structure of Glycoside Hydrolase BglX from P. aeruginosa in complex with 1-deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5O
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BU of 6r5o by Molmil
The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5I
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BU of 6r5i by Molmil
The crystal structure of the Glycoside Hydrolase BglX from P. aeruginosa
分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, SULFATE ION
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020

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