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5DVP
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BU of 5dvp by Molmil
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
5E1G
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BU of 5e1g by Molmil
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
5DZJ
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BU of 5dzj by Molmil
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
5DZP
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BU of 5dzp by Molmil
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
5E5L
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BU of 5e5l by Molmil
Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 at 1.89 Angstrom
Descriptor: L,D-transpeptidase 1
Authors:Kumar, P, Lamichhane, G, Ginell, S.L.
Deposit date:2015-10-08
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
7L6U
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BU of 7l6u by Molmil
Unliganded ELIC in POPC-only nanodiscs at 3.3-Angstrom resolution
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Kumar, P, Grosman, C.
Deposit date:2020-12-23
Release date:2021-06-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and function at the lipid-protein interface of a pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K34
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BU of 7k34 by Molmil
Crystal structure of L-threonine transaldolase from Pseudomonas fluorescens in internal aldimine state
Descriptor: SULFATE ION, Threonine aldolase
Authors:Kumar, P, Bingman, C.A, Buller, A.R.
Deposit date:2020-09-10
Release date:2020-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:l-Threonine Transaldolase Activity Is Enabled by a Persistent Catalytic Intermediate.
Acs Chem.Biol., 16, 2021
5E1I
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BU of 5e1i by Molmil
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
4R7E
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BU of 4r7e by Molmil
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
4NOF
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BU of 4nof by Molmil
Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220]
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor
Authors:Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-11-19
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor
to be published
8GYR
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BU of 8gyr by Molmil
Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kumar, P, Akif, M.
Deposit date:2022-09-23
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA, reveals the orientation of Ig-like domains.
Int.J.Biol.Macromol., 244, 2023
5UWV
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BU of 5uwv by Molmil
Crystal structure of Mycobacterium abscessus L,D-transpeptidase 2
Descriptor: L,D-TRANSPEPTIDASE 2
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2017-02-21
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.
Antimicrob. Agents Chemother., 61, 2017
8UJG
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BU of 8ujg by Molmil
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
8UI1
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BU of 8ui1 by Molmil
X-ray crystal structure of Toxoplasma gondii GalNAc-T3 at pH 7.3
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 (2.91 Å)
Cite:A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues.
Nat Commun, 15, 2024
8UJE
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BU of 8uje by Molmil
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
8UJF
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BU of 8ujf by Molmil
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
8UI6
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BU of 8ui6 by Molmil
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
8UHV
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BU of 8uhv by Molmil
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
8UJH
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BU of 8ujh by Molmil
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
8UHZ
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BU of 8uhz by Molmil
X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with Mn2+
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 (2.55 Å)
Cite:A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues.
Nat Commun, 15, 2024
8EIT
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BU of 8eit by Molmil
Structure of FFAR1-Gq complex bound to DHA
Descriptor: A modified Guanine nucleotide-binding protein G(q) subunit alpha, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ...
Authors:Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M.
Deposit date:2022-09-15
Release date:2023-05-24
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EJK
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BU of 8ejk by Molmil
Structure of FFAR1-Gq complex bound to TAK-875 in a lipid nanodisc
Descriptor: A modified Guanine nucleotide-binding protein G(q) subunit alpha, Free fatty acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M.
Deposit date:2022-09-17
Release date:2023-05-24
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EJC
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BU of 8ejc by Molmil
Structure of FFAR1-Gq complex bound to TAK-875
Descriptor: A modified Guanine nucleotide-binding protein G(q) subunit alpha, Free fatty acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M.
Deposit date:2022-09-16
Release date:2023-05-24
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
6M1X
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BU of 6m1x by Molmil
Crystal structure of Phosphoserine Phosphatase in complex with 3-Phosphoglyceric Acid from Entamoeba histolytica
Descriptor: 3-PHOSPHOGLYCERIC ACID, PHOSPHATE ION, Phosphoglycerate mutase family protein
Authors:Kumari, P, Gourinath, S.
Deposit date:2020-02-26
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural analysis of EhPSP in complex with 3-phosphoglyceric acid from Entamoeba histolytica reveals a basis for its lack of phosphoglycerate mutase activity.
Int.J.Biol.Macromol., 178, 2021
6FPT
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BU of 6fpt by Molmil
Crystal structure of Danio rerio Lin41 filamin-NHL domains
Descriptor: E3 ubiquitin-protein ligase TRIM71
Authors:Kumari, P, Aeschimann, F, Gaidatzis, D, Keusch, J.J, Ghosh, P, Neagu, A, Pachulska-Wieczorek, K, Bujnicki, J.M, Gut, H, Grosshans, H, Ciosk, R.
Deposit date:2018-02-12
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition.
Nat Commun, 9, 2018

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数据于2024-06-26公开中

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