3RP1
 
 | | Crystal structure of Human LAIR-1 in C2 space group | | Descriptor: | Leukocyte-associated immunoglobulin-like receptor 1 | | Authors: | Sampathkumar, P, Ramagopal, U.A, Yan, Q, Toro, R, Nathenson, S, Bonanno, J, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-04-26 | | Release date: | 2011-06-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Human LAIR-1 in C2 space group
To be Published
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3H9M
 | | Crystal structure of para-aminobenzoate synthetase, component I from Cytophaga hutchinsonii | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, TRIETHYLENE GLYCOL, p-aminobenzoate synthetase, ... | | Authors: | Sampathkumar, P, Atwell, S, Wasserman, S, Do, J, Bain, K, Rutter, M, Gheyi, T, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-06-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal structure of para-aminobenzoate synthetase, component I from Cytophaga hutchinsonii
To be Published
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3P3D
 | | Crystal structure of the Nup53 RRM domain from Pichia guilliermondii | | Descriptor: | Nucleoporin 53 | | Authors: | Sampathkumar, P, Shawn, C, Bain, K, Gilmore, J, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-10-04 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of the Nup53 RRM domain from Pichia guilliermondii
To be Published
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3JTY
 | | Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5 | | Descriptor: | BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE | | Authors: | Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-09-14 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution.
Proteins, 78, 2010
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4Q9T
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4R31
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4HKT
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4JWT
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4HC8
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4JOS
 | | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) | | Descriptor: | 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ... | | Authors: | Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-18 | | Release date: | 2013-04-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
to be published
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4KN5
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4J2H
 | | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) | | Descriptor: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ... | | Authors: | Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-04 | | Release date: | 2013-05-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
to be published
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4LDN
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4L0M
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9B9Z
 | | Structural mechanism of CB1R binding to peripheral and biased inverse agonists | | Descriptor: | (4S)-3-(4-chlorophenyl)-N'-[(1E)-ethanimidoyl]-4-phenyl-N-[4-(trifluoromethyl)benzene-1-sulfonyl]-4,5-dihydro-1H-pyrazole-1-carboximidamide, CNb36, Cannabinoid receptor 1,Glycogen synthase | | Authors: | Kumari, P, Dvoracsko, S, Enos, M.D, Ramesh, K, Lim, D, Hassan, S.A, Kunos, G, Cinar, R, Iyer, M.R, Rosenbaum, D.M. | | Deposit date: | 2024-04-03 | | Release date: | 2024-11-20 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural mechanism of CB 1 R binding to peripheral and biased inverse agonists.
Nat Commun, 15, 2024
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9B9Y
 | | Structural mechanism of CB1R binding to peripheral and biased inverse agonists | | Descriptor: | CNb36, Cannabinoid receptor 1,Glycogen synthase, N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide | | Authors: | Kumari, P, Dvoracsko, S, Enos, M.D, Ramesh, K, Lim, D, Hassan, S.A, Kunos, G, Iyer, M.R, Rosenbaum, D.M. | | Deposit date: | 2024-04-03 | | Release date: | 2024-11-20 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural mechanism of CB 1 R binding to peripheral and biased inverse agonists.
Nat Commun, 15, 2024
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5ZKK
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5ZR2
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2GQ2
 | | Mycobacterium tuberculosis ThyX-NADP complex | | Descriptor: | GLYCEROL, IODIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sampathkumar, P, Turley, S, Sibley, C.H, Hol, W.G. | | Deposit date: | 2006-04-19 | | Release date: | 2006-06-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | NADP+ expels both the co-factor and a substrate analog from the Mycobacterium tuberculosis ThyX active site: opportunities for anti-bacterial drug design.
J.Mol.Biol., 360, 2006
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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
 | | 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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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: | 2024-11-20 | | 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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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: | 2024-10-09 | | 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
 | | 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: | 2024-11-06 | | 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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