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1QFD
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BU of 1qfd by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI)
Descriptor: PROTEIN (ALPHA-AMYLASE INHIBITOR)
Authors:Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S.
Deposit date:1999-04-08
Release date:1999-07-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth.
J.Biol.Chem., 274, 1999
1QK7
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BU of 1qk7 by Molmil
Solution structure of Selenocosmia huwena lectin-I(SHL-I) by 2D-NMR
Descriptor: SELENOCOSMIA HUWENA LECTIN-I
Authors:Lu, S, Liang, S, Gu, X.
Deposit date:1999-07-10
Release date:1999-08-20
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Three Dimensional Structure of Selenocosmia Huwena Lectin-I (Shl-I) from the Venom of the Spider Selenocosmia Huwena by 2D-NMR
J.Protein Chem., 18, 2000
8DOD
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BU of 8dod by Molmil
Beta-lactamase CTX-M-14 S130A
Descriptor: Beta-lactamase, POTASSIUM ION
Authors:Lu, S, Palzkill, T.
Deposit date:2022-07-12
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DOE
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BU of 8doe by Molmil
Crystal Structure of CTX-M-14 N106A
Descriptor: Beta-lactamase
Authors:Lu, S, Palzkill, T.
Deposit date:2022-07-12
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DP4
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BU of 8dp4 by Molmil
Beta-lactamase CTX-M-14 T235A
Descriptor: Beta-lactamase
Authors:Lu, S, Palzkill, T.
Deposit date:2022-07-14
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DON
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BU of 8don by Molmil
Beta-lactamase CTX-M-14 T215A
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Lu, S, Palzkill, T.
Deposit date:2022-07-13
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8DPQ
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BU of 8dpq by Molmil
Beta-lactamase CTX-M-14 N170A
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase
Authors:Lu, S, Neetu, N, Palzkill, T.
Deposit date:2022-07-15
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
3DV2
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BU of 3dv2 by Molmil
Crystal Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis
Descriptor: Nicotinate (Nicotinamide) nucleotide adenylyltransferase, SULFATE ION
Authors:Lu, S, Smith, C.D, Yang, Z, Pruett, P.S, Nagy, L, McCombs, D.P, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G.
Deposit date:2008-07-18
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis.
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
7S5S
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BU of 7s5s by Molmil
CTX-M-15 WT in complex with BLIP WT
Descriptor: Beta-lactamase, Beta-lactamase inhibitory protein
Authors:Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B.
Deposit date:2021-09-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes.
Nat Commun, 13, 2022
7MJ5
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BU of 7mj5 by Molmil
complex of human thrombin with XC-43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Putative secreted salivary protein, SODIUM ION, ...
Authors:Lu, S, Tirloni, L, Andersen, J.F.
Deposit date:2021-04-19
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of a substrate-like cleavage-resistant thrombin inhibitor from the saliva of the flea Xenopsylla cheopis.
J.Biol.Chem., 297, 2021
8ELA
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BU of 8ela by Molmil
CTX-M-14 beta-lactamase mutant - N132A w MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, CHLORIDE ION, ...
Authors:Lu, S, Palzkill, T, Hu, L, Prasad, B.V.V.
Deposit date:2022-09-23
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8ELB
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BU of 8elb by Molmil
CTX-M-14 beta-lactamase mutant- N132A
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER
Authors:Lu, S, Neetu, N, Palzkill, T.
Deposit date:2022-09-23
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
8GDL
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BU of 8gdl by Molmil
Acid phosphatase pseudoenzyme from flea
Descriptor: PALMITOLEIC ACID, SEROTONIN, SULFATE ION, ...
Authors:Lu, S, Andersen, J.F, Ribeiro, J.M.
Deposit date:2023-03-06
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Acid phosphatase-like proteins, a biogenic amine and leukotriene-binding salivary protein family from the flea Xenopsylla cheopis.
Commun Biol, 6, 2023
1PGV
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BU of 1pgv by Molmil
Structural Genomics of Caenorhabditis elegans: tropomodulin C-terminal domain
Descriptor: tropomodulin TMD-1
Authors:Symersky, J, Lu, S, Li, S, Chen, L, Meehan, E, Luo, M, Qiu, S, Bunzel, R.J, Luo, D, Arabashi, A, Nagy, L.A, Lin, G, Luan, W.C.-H, Carson, M, Gray, R, Huang, W, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-05-28
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural genomics of Caenorhabditis elegans: crystal structure of the tropomodulin C-terminal domain
Proteins, 56, 2004
7LTN
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BU of 7ltn by Molmil
Crystal structure of Mpro in complex with inhibitor CDD-1713
Descriptor: 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase
Authors:Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S.
Deposit date:2021-02-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K2W
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BU of 7k2w by Molmil
Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed cefotaxime
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
Deposit date:2020-09-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
7K2Y
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BU of 7k2y by Molmil
Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase
Authors:Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
Deposit date:2020-09-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
7K2X
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BU of 7k2x by Molmil
Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase
Descriptor: Beta-lactamase, GLYCEROL
Authors:Lu, S, Palzkill, T, Sankaran, B, Hu, L, Soeung, V, Prasad, B.V.V.
Deposit date:2020-09-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A drug-resistant beta-lactamase variant changes the conformation of its active-site proton shuttle to alter substrate specificity and inhibitor potency.
J.Biol.Chem., 295, 2020
7UR9
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BU of 7ur9 by Molmil
SARS-Cov2 Main protease in complex with inhibitor CDD-1845
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5
Authors:Lu, S, Palzkill, T.
Deposit date:2022-04-21
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7URB
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BU of 7urb by Molmil
Sars-Cov2 Main Protease in complex with CDD-1733
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase
Authors:Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
Deposit date:2022-04-21
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7US4
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BU of 7us4 by Molmil
Sars-Cov2 Main Protease in complex with CDD-1819
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase
Authors:Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
Deposit date:2022-04-22
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
1QWK
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BU of 1qwk by Molmil
Structural genomics of Caenorhabditis Elegans: Hypothetical 35.2 kDa protein (aldose reductase family member)
Descriptor: aldo-keto reductase family 1 member C1
Authors:Chen, L, Zhou, X.E, Meehan, E.J, Symersky, J, Lu, S, Li, S, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-09-02
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural genomics of Caenorhabditis Elegans: Hypothetical 35.2 kDa protein (aldose reductase family member)
To be published
5XN6
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BU of 5xn6 by Molmil
Heterodimer crystal structure of geranylgeranyl diphosphate synthases 1 with GGPPS Recruiting Protein(OsGRP) from Oryza sativa
Descriptor: Os02g0668100 protein, Os07g0580900 protein
Authors:Wang, C, Zhou, F, Lu, S, Zhang, P.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.598 Å)
Cite:A recruiting protein of geranylgeranyl diphosphate synthase controls metabolic flux toward chlorophyll biosynthesis in rice
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1XHL
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BU of 1xhl by Molmil
Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
Descriptor: 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ...
Authors:Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-20
Release date:2004-09-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
1XKQ
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Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain reductase family member (5D234)
Authors:Schormann, N, Zhou, J, Karpova, E, Zhang, Y, Symersky, J, Bunzel, B, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKinstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-29
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
To be Published

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