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4K1S
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BU of 4k1s by Molmil
Gly-Ser-SplB protease from Staphylococcus aureus at 1.96 A resolution
分子名称: Serine protease SplB
著者Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G.
登録日2013-04-05
公開日2014-04-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
4MVN
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BU of 4mvn by Molmil
Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor
分子名称: Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
著者Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J.
登録日2013-09-24
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Protein Sci., 23, 2014
5NCW
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BU of 5ncw by Molmil
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant).
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
登録日2017-03-06
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
5NCS
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BU of 5ncs by Molmil
Structure of the native serpin-type proteinase inhibitor, miropin.
分子名称: Serpin
著者Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
登録日2017-03-06
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
5NCT
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BU of 5nct by Molmil
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin.
分子名称: ASPARTIC ACID, GLYCEROL, SERINE, ...
著者Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
登録日2017-03-06
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
5NCU
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BU of 5ncu by Molmil
Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin.
分子名称: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
著者Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
登録日2017-03-06
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
6I9A
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BU of 6i9a by Molmil
Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Gomis-Ruth, F.X, Guevara, T, Rofdriguez-Banqueri, A.
登録日2018-11-22
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor.
Sci Rep, 9, 2019
7NT4
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BU of 7nt4 by Molmil
X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ...
著者Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M.
登録日2021-03-09
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell Chem Biol, 29, 2022
1CGH
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BU of 1cgh by Molmil
Human cathepsin G
分子名称: CATHEPSIN G, N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide
著者Hof, P, Bode, W.
登録日1996-06-26
公開日1997-07-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8 A crystal structure of human cathepsin G in complex with Suc-Val-Pro-PheP-(OPh)2: a Janus-faced proteinase with two opposite specificities.
EMBO J., 15, 1996
1CVR
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BU of 1cvr by Molmil
Crystal structure of the Arg specific cysteine proteinase gingipain R (RGPB)
分子名称: CALCIUM ION, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide, GINGIPAIN R, ...
著者Eichinger, A, Beisel, H.-G.
登録日1999-08-24
公開日2000-03-01
最終更新日2013-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of gingipain R: an Arg-specific bacterial cysteine proteinase with a caspase-like fold.
EMBO J., 18, 1999
6YZG
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BU of 6yzg by Molmil
Streptococcal surface adhesin - CshB NR2
分子名称: Surface-associated protein CshB
著者Race, P.R, Parnell, A.E, Barringer, R.
登録日2020-05-06
公開日2021-05-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Domain shuffling of a highly mutable ligand-binding fold drives adhesin generation across the bacterial kingdom.
Proteins, 2023
7OD0
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BU of 7od0 by Molmil
Mirolysin in complex with compound 9
分子名称: 1,2-ETHANEDIOL, 2,1,3-benzothiadiazol-4-ylmethanamine, ACETATE ION, ...
著者Zak, K.M, Bostock, M.J, Ksiazek, M.
登録日2021-04-28
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia .
J Enzyme Inhib Med Chem, 36, 2021
8EHC
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BU of 8ehc by Molmil
Structure of Tannerella forsythia selenomethionine-derivatized potempin E
分子名称: GLYCEROL, Potempin E (PotE)
著者Gomis-Ruth, F.X.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-02-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
8EHE
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BU of 8ehe by Molmil
Structure of Tannerella forsythia potempin C in complex with mirolase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Gomis-Ruth, F.X.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
8EHD
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BU of 8ehd by Molmil
Structure of Tannerella forsythia potempin E
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Potempin E (PotE)
著者Gomis-Ruth, F.X.
登録日2022-09-14
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
8EHB
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BU of 8ehb by Molmil
Structure of Tannerella forsythia selenomethionine-derivatized potempin D mutant I53M
分子名称: 1,2-ETHANEDIOL, Putative lipoprotein
著者Gomis-Ruth, F.X.
登録日2022-09-14
公開日2022-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
4ZFI
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BU of 4zfi by Molmil
Structure of Mdm2 with low molecular weight inhibitor
分子名称: (5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2
著者Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
登録日2015-04-21
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
4ZGK
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BU of 4zgk by Molmil
Structure of Mdm2 with low molecular weight inhibitor.
分子名称: (5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2
著者Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
登録日2015-04-23
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
5MM8
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BU of 5mm8 by Molmil
Atomic resolution structure of SplE protease from Staphylococcus aureus
分子名称: ACETATE ION, Serine protease SplE
著者Stach, N, Zdzalik, M, Dubin, G.
登録日2016-12-08
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unique Substrate Specificity of SplE Serine Protease from Staphylococcus aureus.
Structure, 26, 2018
6SM3
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BU of 6sm3 by Molmil
Structure of the RagAB peptide importer in the 'closed-closed' state
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, GLY-GLY-ALA-THR-THR-ALA-THR-THR-THR-THR-SER-THR-SER, Lipoprotein RagB, ...
著者White, J.B.R, Ranson, N.A, van den Berg, B.
登録日2019-08-21
公開日2020-05-20
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SMQ
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BU of 6smq by Molmil
Structure of the RagAB peptide importer in the 'open-closed' state
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Lipoprotein RagB, ...
著者White, J.B.R, Ranson, N.A, van den Berg, B.
登録日2019-08-22
公開日2020-05-20
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SLJ
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BU of 6slj by Molmil
Structure of the RagAB peptide transporter
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ALA-SER-THR-THR-GLY-ALA-ASN-SER-GLN-ARG, ...
著者Madej, M, Ranson, N.A, White, J.B.R.
登録日2019-08-20
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SLI
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BU of 6sli by Molmil
Structure of the RagAB peptide transporter
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALA-SER-THR-THR-GLY-GLY-ASN-SER-GLN-ARG-GLY-SER-GLY, ...
著者Madej, M, Ranson, N.A, White, J.B.R.
登録日2019-08-19
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6SLN
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BU of 6sln by Molmil
Structure of the RagAB peptide transporter
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, ...
著者Madej, M, Ranson, N.A, White, J.B.R.
登録日2019-08-20
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
5O0I
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BU of 5o0i by Molmil
ADP-dependent glucokinase from Pyrococcus horikoshii
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADP-dependent glucokinase, ...
著者Grudnik, P, Dubin, G.
登録日2017-05-16
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide.
J. Biol. Chem., 293, 2018

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