5DU7
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![BU of 5du7 by Molmil](/molmil-images/mine/5du7) | |
5DVP
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![BU of 5dvp by Molmil](/molmil-images/mine/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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5DZP
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![BU of 5dzp by Molmil](/molmil-images/mine/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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5DZJ
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![BU of 5dzj by Molmil](/molmil-images/mine/5dzj) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A | 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 (2.095 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5E5L
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![BU of 5e5l by Molmil](/molmil-images/mine/5e5l) | |
5E1G
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![BU of 5e1g by Molmil](/molmil-images/mine/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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5E1I
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![BU of 5e1i by Molmil](/molmil-images/mine/5e1i) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210 | Descriptor: | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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4R7E
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![BU of 4r7e by Molmil](/molmil-images/mine/4r7e) | Structure of Bre1 RING domain | Descriptor: | E3 ubiquitin-protein ligase BRE1, ZINC ION | Authors: | Kumar, P, Wolberger, C. | Deposit date: | 2014-08-27 | Release date: | 2015-05-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Structure of the yeast Bre1 RING domain. Proteins, 83, 2015
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8UJG
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![BU of 8ujg by Molmil](/molmil-images/mine/8ujg) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and the mono-glycopeptide Srs13.2 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8UHV
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![BU of 8uhv by Molmil](/molmil-images/mine/8uhv) | X-ray crystal structure of Toxoplasma gondii Apo GalNAc-T3 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glycosyl transferase | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-09 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8UJH
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![BU of 8ujh by Molmil](/molmil-images/mine/8ujh) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and a CST1 diglycopeptide. | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, Glycosyl transferase, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8UJE
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![BU of 8uje by Molmil](/molmil-images/mine/8uje) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8UHZ
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![BU of 8uhz by Molmil](/molmil-images/mine/8uhz) | |
8UI6
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![BU of 8ui6 by Molmil](/molmil-images/mine/8ui6) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-10 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8UJF
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![BU of 8ujf by Molmil](/molmil-images/mine/8ujf) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8UI1
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![BU of 8ui1 by Molmil](/molmil-images/mine/8ui1) | |
5E51
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![BU of 5e51 by Molmil](/molmil-images/mine/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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6MB4
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![BU of 6mb4 by Molmil](/molmil-images/mine/6mb4) | Binary (sisomicin) structure of AAC-IIIb | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aac(3)-IIIb protein | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB6
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![BU of 6mb6 by Molmil](/molmil-images/mine/6mb6) | AAC-IIIb binary with CoASH | Descriptor: | Aac(3)-IIIb protein, COENZYME A, MALONATE ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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7OUP
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![BU of 7oup by Molmil](/molmil-images/mine/7oup) | Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic | Descriptor: | ((2R,4S,5S)-5-((S)-2-amino-3-methylbutanamido)-2-benzyl-4-hydroxy-6-methylheptanoyl)-L-prolyl-L-tryptophan, Dipeptidyl peptidase 3, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Gruber, K. | Deposit date: | 2021-06-12 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics. Chemistry, 27, 2021
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5K69
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![BU of 5k69 by Molmil](/molmil-images/mine/5k69) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224 | Descriptor: | (2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2 | Authors: | Lamichhane, G, Ginell, S.L, Kumar, P. | Deposit date: | 2016-05-24 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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6MB5
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![BU of 6mb5 by Molmil](/molmil-images/mine/6mb5) | AAC-IIIb binary with NEOMYCIN | Descriptor: | Aac(3)-IIIb protein, NEOMYCIN | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB7
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![BU of 6mb7 by Molmil](/molmil-images/mine/6mb7) | Binary (paromomycin) structure of AAC-IIIb | Descriptor: | Aac(3)-IIIb protein, PAROMOMYCIN | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB9
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![BU of 6mb9 by Molmil](/molmil-images/mine/6mb9) | Ternary (neomycin/CoA) structure of AAC-IIIb | Descriptor: | Aac(3)-IIIb protein, COENZYME A, NEOMYCIN, ... | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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6MB8
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![BU of 6mb8 by Molmil](/molmil-images/mine/6mb8) | Apo structure of AAC-IIIb | Descriptor: | Aac(3)-IIIb protein, CHLORIDE ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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