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8DS2
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BU of 8ds2 by Molmil
Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2)
Descriptor: 3C-like proteinase nsp5, GLYCEROL, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DS1
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BU of 8ds1 by Molmil
Structure of SARS-CoV-2 Mpro in complex with nsp12-nsp13 (C12) cut site sequence
Descriptor: 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DOP
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BU of 8dop by Molmil
Crystal structure of 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes (P1 Form)
Descriptor: 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase, IODIDE ION, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-07-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes (P1 Form)
To be published
2BWU
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BU of 2bwu by Molmil
Asp271Ala Escherichia coli Aminopeptidase P
Descriptor: AMINOPEPTIDASE P, CITRATE ANION, MAGNESIUM ION, ...
Authors:Graham, S.C, Guss, J.M.
Deposit date:2005-07-19
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis.
Biochemistry, 45, 2006
8ED8
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BU of 8ed8 by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2 and PregS, state 1
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-09-03
Release date:2022-11-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DT6
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BU of 8dt6 by Molmil
Crystal Structure of DNA Polymerase III beta subunit from Elizabethkingia anophelis
Descriptor: Beta sliding clamp, CALCIUM ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-25
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of DNA Polymerase III beta subunit from Elizabethkingia anophelis
to be published
5YBY
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BU of 5yby by Molmil
Structure of human Gliomedin
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Liu, H, Lin, Z, Xu, F.
Deposit date:2017-09-05
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.429 Å)
Cite:High resolution structure of human gliomedin
To Be Published
8ED9
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BU of 8ed9 by Molmil
cryo-EM structure of TRPM3 ion channel in the presence with PIP2 and PregS, state 2
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-09-03
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DVH
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BU of 8dvh by Molmil
Crystal structure of ATP-dependent Lon protease from Bacillus subtillis (BsLonBA)
Descriptor: Lon protease 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, SODIUM ION
Authors:Sekula, B, Li, M, Gustchina, A, Wlodawer, A.
Deposit date:2022-07-29
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unique Structural Fold of LonBA Protease from Bacillus subtilis, a Member of a Newly Identified Subfamily of Lon Proteases.
Int J Mol Sci, 23, 2022
1RWT
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BU of 1rwt by Molmil
Crystal Structure of Spinach Major Light-harvesting complex at 2.72 Angstrom Resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Liu, Z, Yan, H, Wang, K, Kuang, T, Zhang, J, Gui, L, An, X, Chang, W.
Deposit date:2003-12-17
Release date:2004-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of spinach major light-harvesting complex at 2.72 A resolution
Nature, 428, 2004
8E75
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BU of 8e75 by Molmil
Crystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA)
Descriptor: 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, SODIUM ION
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8E77
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BU of 8e77 by Molmil
rystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA), incomplete with its external aldimine reaction intermediate
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, ...
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8E62
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BU of 8e62 by Molmil
STRUCTURE OF Pcryo_0615 from Psychrobacter cryohalolentis, an N-acetyltransferase required to produce Diacetamido-2,3-dideoxy-D-glucuronic acid
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid, COENZYME A, SODIUM ION, ...
Authors:Hofmeister, D.L, Bockhaus, N.J, Seltzner, C.A, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-22
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8DW0
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BU of 8dw0 by Molmil
Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an enzyme-generated abasic site (AP) product and crystallized with sodium acetate
Descriptor: 1,2-ETHANEDIOL, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ...
Authors:Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2022-07-30
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
8DW4
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BU of 8dw4 by Molmil
Glycosylase MutY variant N146S in complex with DNA containing d(8-oxo-G) paired with an abasic site product (AP) generated by the enzyme in crystals by removal of calcium
Descriptor: ACETATE ION, Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), ...
Authors:Demir, M, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2022-07-31
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural snapshots of base excision by the cancer-associated variant MutY N146S reveal a retaining mechanism.
Nucleic Acids Res., 51, 2023
1S0A
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BU of 1s0a by Molmil
Crystal Structure of the Y17F Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
6VSP
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BU of 6vsp by Molmil
Structure of Serratia marcescens 2,3-butanediol dehydrogenase mutant Q247A
Descriptor: 1,2-ETHANEDIOL, 2,3-butanediol dehydrogenase, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2020-02-11
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phylogenetics-based identification and characterization of a superior 2,3-butanediol dehydrogenase for Zymomonas mobilis expression.
Biotechnol Biofuels, 13, 2020
8E3U
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BU of 8e3u by Molmil
Nickel-reconstituted nitrogenase MoFeP mutant S188A from Azotobacter vinelandii after IDS oxidation
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(7)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2022-08-17
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Role of Serine Coordination in the Structural and Functional Protection of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 144, 2022
8E3T
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BU of 8e3t by Molmil
Gallium-reconstituted nitrogenase MoFeP mutant S188A from Azotobacter vinelandii after IDS oxidation
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(7)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2022-08-17
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of Serine Coordination in the Structural and Functional Protection of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 144, 2022
1SB1
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BU of 1sb1 by Molmil
Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics
Descriptor: N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ...
Authors:Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D.
Deposit date:2004-02-09
Release date:2004-06-08
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004
2CC6
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BU of 2cc6 by Molmil
Complexes of Dodecin with Flavin and Flavin-like Ligands
Descriptor: CHLORIDE ION, LUMICHROME, MAGNESIUM ION, ...
Authors:Grininger, M, Zeth, K, Oesterhelt, D.
Deposit date:2006-01-12
Release date:2006-02-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Dodecins: A Family of Lumichrome Binding Proteins.
J.Mol.Biol., 357, 2006
2EII
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BU of 2eii by Molmil
Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound L-valine and NAD.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, ...
Authors:Inagaki, E, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-13
Release date:2007-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure analysis of delta1-pyrroline-5-carboxylate dehydrogenase in ternary complex with inhibitor and NAD.
To be Published
2EJJ
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BU of 2ejj by Molmil
Mutant K129M structure of PH0725 from Pyrococcus horikoshii OT3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Shimizu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-16
Release date:2007-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutant K129M structure of PH0725 from Pyrococcus horikoshii OT3
to be published
6VVI
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BU of 6vvi by Molmil
Arabidopsis thaliana dihydrodipicolinate synthase isoform 1 (DHDPS1)
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase 1, chloroplastic, GLYCEROL, ...
Authors:Lee, M, Hall, C.J.
Deposit date:2020-02-18
Release date:2021-02-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.145 Å)
Cite:Differential lysine-mediated allosteric regulation of plant dihydrodipicolinate synthase isoforms.
Febs J., 288, 2021
6VVH
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BU of 6vvh by Molmil
Arabidopsis thaliana dihydrodipicolinate synthase isoform 1 (DHDPS1) in complex with lysine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-tetrahydrodipicolinate synthase 1, chloroplastic, ...
Authors:Lee, M, Hall, C.J.
Deposit date:2020-02-18
Release date:2021-02-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Differential lysine-mediated allosteric regulation of plant dihydrodipicolinate synthase isoforms.
Febs J., 288, 2021

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