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7KIW
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BU of 7kiw by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F, Kumar, V.
登録日2020-10-25
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
分子名称: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
著者Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
登録日2018-07-25
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
7KIV
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BU of 7kiv by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7KIT
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BU of 7kit by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
7LC4
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BU of 7lc4 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with gamma-lactam YU253911
分子名称: 1-[(2S)-2-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F, Kumar, V.
登録日2021-01-09
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A gamma-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp.
Eur.J.Med.Chem., 220, 2021
6HR9
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BU of 6hr9 by Molmil
Nitrocefin acylation of both catalytic serines of the Y409 mutant of penicillin-binding protein 3 from P. aeruginosa
分子名称: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-09-26
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Nitrocefin acylation of both catalytic serines of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HZR
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BU of 6hzr by Molmil
Apo structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-10-23
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6HR6
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BU of 6hr6 by Molmil
Nitrocefin reacted with catalytic serine (Ser294) of penicillin-binding protein 3 from Pseudomonas aeruginosa
分子名称: Nitrocefin - open form, Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-09-26
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Nitrocefin acylation of single catalytic serine of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6HR4
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BU of 6hr4 by Molmil
Apo form of penicillin-binding protein 3 from P. aeruginosa
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-09-26
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Apo form of penicillin-binding protein 3 from P. aeruginosa
To Be Published
6I1E
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BU of 6i1e by Molmil
Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin
分子名称: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2018-10-28
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
7LY1
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BU of 7ly1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with vaborbactam
分子名称: Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
著者van den Akker, F, Kumar, V.
登録日2021-03-05
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the boronic acid beta-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3.
Plos One, 16, 2021
6KGT
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BU of 6kgt by Molmil
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with faropenem
分子名称: (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB
著者Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H.
登録日2019-07-12
公開日2020-03-11
実験手法X-RAY DIFFRACTION (2.308 Å)
主引用文献Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
3UE3
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BU of 3ue3 by Molmil
Crystal structure of Acinetobacter baumanni PBP3
分子名称: Septum formation, penicillin binding protein 3, peptidoglycan synthetase
著者Han, S.
登録日2011-10-28
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3VSK
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BU of 3vsk by Molmil
Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant Staphylococcus aureus in the apo form.
分子名称: Penicillin-binding protein 3
著者Yoshida, H, Tame, J.R, Park, S.Y.
登録日2012-04-25
公開日2012-10-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Crystal Structures of Penicillin-Binding Protein 3 (PBP3) from Methicillin-Resistant Staphylococcus aureus in the Apo and Cefotaxime-Bound Forms.
J.Mol.Biol., 423, 2012
3VSL
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BU of 3vsl by Molmil
Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant Staphylococcus aureus in the cefotaxime bound form.
分子名称: CEFOTAXIME, C3' cleaved, open, ...
著者Yoshida, H, Tame, J.R, Park, S.Y.
登録日2012-04-25
公開日2012-10-31
最終更新日2017-03-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Penicillin-Binding Protein 3 (PBP3) from Methicillin-Resistant Staphylococcus aureus in the Apo and Cefotaxime-Bound Forms.
J.Mol.Biol., 423, 2012
3ZG0
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BU of 3zg0 by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization
分子名称: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-13
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZFZ
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BU of 3zfz by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking
分子名称: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-13
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZG5
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BU of 3zg5 by Molmil
Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric
分子名称: CADMIUM ION, CHLORIDE ION, PEPTIDOGLYCAN ANALOGUE, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-14
公開日2013-10-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
4BL3
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BU of 4bl3 by Molmil
Crystal structure of PBP2a clinical mutant N146K from MRSA
分子名称: CADMIUM ION, CHLORIDE ION, PENICILLIN BINDING PROTEIN 2 PRIME, ...
著者Otero, L.H, Rojas-Altuve, A, Carrasco-Lopez, C, Hermoso, J.A.
登録日2013-04-30
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics.
J.Am.Chem.Soc., 136, 2014
4BL2
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BU of 4bl2 by Molmil
Crystal structure of PBP2a clinical mutant E150K from MRSA
分子名称: CADMIUM ION, CHLORIDE ION, PENICILLIN BINDING PROTEIN 2 PRIME
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2013-04-30
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics.
J.Am.Chem.Soc., 136, 2014
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
分子名称: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2013-12-21
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
4CPK
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BU of 4cpk by Molmil
Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA
分子名称: CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2014-02-07
公開日2014-09-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics.
J.Am.Chem.Soc., 136, 2014
7ATM
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BU of 7atm by Molmil
Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1)
分子名称: (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-10-30
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.582 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATO
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BU of 7ato by Molmil
Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2)
分子名称: (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-10-30
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU0
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Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7)
分子名称: Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021

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件を2024-05-22に公開中

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