6MKQ
 
 | | Carbapenemase VCC-1 bound to avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Mark, B.L, Vadlamani, G. | | Deposit date: | 2018-09-26 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
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5DCC
 | | X-RAY CRYSTAL STRUCTURE OF a TEBIPENEM ADDUCT OF L,D TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | (4S)-4-methyl-2,5,7-trioxoheptanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pan, Y, Basta, L, Lamichhane, G, Bianchet, M.A. | | Deposit date: | 2015-08-23 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
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5DC2
 | | X-RAY CRYSTAL STRUCTURE OF A ENZYMATICALLY DEGRADED BIAPENEM-ADDUCT OF L,D-TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | (4S)-4-methyl-2,5,7-trioxoheptanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pan, Y, Basta, L, Lamichhane, G, Bianchet, M.A. | | Deposit date: | 2015-08-23 | | Release date: | 2016-10-05 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
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5D7H
 | | X-RAY CRYSTAL STRUCTURE OF L,D TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | GLYCEROL, L,D-transpeptidase 2, SULFATE ION | | Authors: | Saavedra, H, Basta, L.A, Lamichhane, G, Bianchet, M.A. | | Deposit date: | 2015-08-13 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem.
BMC Biochem., 18, 2017
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3VAE
 | | Crystal Structure of M. tuberculosis LD-transpeptidase type 2 with Modified Catalytic Cysteine (C354) | | Descriptor: | DI(HYDROXYETHYL)ETHER, LD-transpeptidase type 2 | | Authors: | Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M. | | Deposit date: | 2011-12-29 | | Release date: | 2012-12-12 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2.
Structure, 20, 2012
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6S68
 | | Structure of the Fluorescent Protein AausFP2 from Aequorea cf. australis at pH 7.6 | | Descriptor: | Aequorea cf. australis fluorescent protein 2 (AausFP2) | | Authors: | Depernet, H, Gotthard, G, Lambert, G.G, Shaner, N.C, Royant, A. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing.
Plos Biol., 18, 2020
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6S67
 | | Structure of the Fluorescent Protein AausFP1 from Aequorea cf. australis at pH 7.0 | | Descriptor: | Aequorea cf. australis fluorescent protein 1 (AausFP1), GLYCEROL | | Authors: | Depernet, H, Gotthard, G, Lambert, G.G, Shaner, N.C, Royant, A. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing.
Plos Biol., 18, 2020
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6T2W
 | | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-09 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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6T3B
 | | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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6T3C
 | | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | | Descriptor: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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8B2Y
 | | Structure of the weakly red fluorescent protein csiFP4 from Clytia simplex | | Descriptor: | CHLORIDE ION, CsiFP4 chain A, SULFATE ION | | Authors: | Depernet, H, Engilberge, S, Lambert, G, Gotthard, G, Shaner, N, Royant, A. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure of the weakly red fluorescent protein csiFP4 from Clytia simplex
To Be Published
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8QQZ
 | | Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 8.0 | | Descriptor: | Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE | | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A. | | Deposit date: | 2023-10-06 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
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8QR0
 | | Cryo-EM structure of the light-driven sodium pump ErNaR in the pentameric form at pH 4.3 | | Descriptor: | Bacteriorhodopsin-like protein, DODECYL-BETA-D-MALTOSIDE, EICOSANE | | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Marin, E, Stetsenko, A, Guskov, A. | | Deposit date: | 2023-10-06 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
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8QLE
 | | Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 4.6 | | Descriptor: | Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID | | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G. | | Deposit date: | 2023-09-19 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
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8QLF
 | | Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 8.8 | | Descriptor: | Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID | | Authors: | Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G. | | Deposit date: | 2023-09-19 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
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3TUR
 | | Crystal Structure of M. tuberculosis LD-transpeptidase type 2 complexed with a peptidoglycan fragment | | Descriptor: | 6-CARBOXYLYSINE, D-GLUTAMIC ACID, Di-mu-iodobis(ethylenediamine)diplatinum(II), ... | | Authors: | Bianchet, M.A, Erdemli, S.B, Gupta, R, Lamichhane, G, Amzel, L.M. | | Deposit date: | 2011-09-17 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2.
Structure, 20, 2012
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3U1Q
 | | Crystal Structure of M. tuberculosis LD-transpeptidase type 2 with 2-Mercaptoethanol | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Mycobacteria Tuberculosis LD-transpeptidase type 2 | | Authors: | Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M. | | Deposit date: | 2011-09-30 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structure of Mycobacterium tuberculosis L,D-transpeptidase 2 provides insights into targeting the cell wall of persisters
to be published
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5DVP
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with Doripenem adduct | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, L,D-transpeptidase 2, PHOSPHONOACETALDEHYDE, ... | | Authors: | Kumar, P, Lamichhane, G. | | Deposit date: | 2015-09-21 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5E5L
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5E51
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct | | Descriptor: | (3R)-3-hydroxybutanal, L,D-transpeptidase 1 | | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | | Deposit date: | 2015-10-07 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5E1G
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T208 | | Descriptor: | (2~{S},3~{R},4~{R})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, L,D-transpeptidase 2 | | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | | Deposit date: | 2015-09-29 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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5DZP
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation B | | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | | Deposit date: | 2015-09-25 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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7F8P
 | | Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with new carbapenem drug T203 | | Descriptor: | (2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid, (4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, GLUTAMIC ACID, ... | | Authors: | Kumar, P, Lamichhane, G. | | Deposit date: | 2021-07-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase.
Elife, 11, 2022
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7F71
 | | Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with peptidoglycan sugar moiety and glutamate | | Descriptor: | GLUTAMIC ACID, GLYCEROL, L,D-transpeptidase 2, ... | | Authors: | Kumar, P, Lamichhane, G. | | Deposit date: | 2021-06-26 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Allosteric cooperation in beta-lactam binding to a non-classical transpeptidase.
Elife, 11, 2022
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3U1P
 | | Crystal Structure of M. tuberculosis LD-transpeptidase type 2 with Modified Catalytic Cysteine (C354) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Mycobacteria Tuberculosis LD-transpeptidase type 2 | | Authors: | Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M. | | Deposit date: | 2011-09-30 | | Release date: | 2012-12-05 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2.
Structure, 20, 2012
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