5HPO
 
 | | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-20 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5HHX
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5HI5
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | Descriptor: | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ... | | Authors: | Liu, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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5HXM
 | | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose | | Descriptor: | Alpha-xylosidase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-31 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5HOP
 | | 1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e | | Descriptor: | ACETATE ION, Lmo0182 protein | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-19 | | Release date: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5I0E
 | | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with isomaltose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glycoside hydrolase family 31, ... | | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-03 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5I0F
 | | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with covalent intermediate | | Descriptor: | CALCIUM ION, Glycoside hydrolase family 31, TRIETHYLENE GLYCOL, ... | | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-03 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5INI
 | | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | | Descriptor: | HEXANOYL-COENZYME A, Putative carboxyl transferase | | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L. | | Deposit date: | 2016-03-07 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
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5I0D
 | | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with cycloalternan | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, ... | | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-03 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5INF
 | | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | | Descriptor: | Carboxyl transferase, HEXANOYL-COENZYME A | | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L. | | Deposit date: | 2016-03-07 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.751 Å) | | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
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5HXI
 | | 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5HN bound | | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxypyridine-3-carboxylic acid, BETA-MERCAPTOETHANOL, ... | | Authors: | Kobayashi, J, Mikami, B. | | Deposit date: | 2016-01-30 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Role of the Tyr270 residue in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti
J. Biosci. Bioeng., 123, 2017
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5I0G
 | | Cycloalternan-degrading enzyme from Trueperella pyogenes in complex with cycloalternan | | Descriptor: | Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, Glycoside hydrolase family 31, SUCCINIC ACID | | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-03 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
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5DHE
 | | Crystal structure of ChBD3 from Thermococcus kodakarensis KOD1 | | Descriptor: | Chitinase, GLYCEROL | | Authors: | Niwa, S, Hibi, M, Takeda, K, Miki, K. | | Deposit date: | 2015-08-30 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of chitin binding domains of chitinase from Thermococcus kodakarensis KOD1
Febs Lett., 590, 2016
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5CX2
 | | Structure of coiled coil domain of Leishmania donovani coronin | | Descriptor: | 1,2-ETHANEDIOL, Coronin, SULFATE ION | | Authors: | Nayak, A.R, Karade, S.S, Srivastava, V.K, Pratap, J.V. | | Deposit date: | 2015-07-28 | | Release date: | 2016-07-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of Leishmania donovani coronin coiled coil domain reveals an antiparallel 4 helix bundle with inherent asymmetry
J.Struct.Biol., 195, 2016
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5DHD
 | | Crystal structure of ChBD2 from Thermococcus kodakarensis KOD1 | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Chitinase, SULFATE ION | | Authors: | Hibi, M, Niwa, S, Takeda, K, Miki, K. | | Deposit date: | 2015-08-30 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Crystal structures of chitin binding domains of chitinase from Thermococcus kodakarensis KOD1
Febs Lett., 590, 2016
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1C8N
 | | TOBACCO NECROSIS VIRUS | | Descriptor: | CALCIUM ION, COAT PROTEIN | | Authors: | Oda, Y, Fukuyama, K. | | Deposit date: | 2000-05-20 | | Release date: | 2000-08-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of tobacco necrosis virus at 2.25 A resolution.
J.Mol.Biol., 300, 2000
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5GO1
 | | Structural, Functional characterization and discovery of novel inhibitors of Leishmania amazonensis Nucleoside Diphosphatase Kinase (NDK) | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Mishra, A.K, Agnihotri, P, Singh, S.P, Pratap, J.V. | | Deposit date: | 2016-07-26 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization.
J. Comput. Aided Mol. Des., 31, 2017
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5GXH
 | | The structure of the Gemin5 WD40 domain with AAUUUUUG | | Descriptor: | GLYCEROL, Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*G)-3'), ... | | Authors: | Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-17 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
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2PHB
 | | An Orally Efficacious Factor Xa Inhibitor | | Descriptor: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | | Deposit date: | 2007-04-10 | | Release date: | 2008-03-25 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
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2Q1J
 | | The discovery of glycine and related amino acid-based factor xa inhibitors | | Descriptor: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ... | | Authors: | Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C. | | Deposit date: | 2007-05-24 | | Release date: | 2007-08-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors
BIOORG.MED.CHEM., 14, 2006
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8WGT
 | | Crystal structure of V30M-TTR in complex with compound 7 | | Descriptor: | Transthyretin, [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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8WOV
 | | Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, G233A mutant | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE | | Authors: | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | | Deposit date: | 2023-10-07 | | Release date: | 2024-05-15 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 119, 2024
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9B70
 | | Cryo-EM structure of MraY in complex with analogue 2 | | Descriptor: | (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2024-03-26 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
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8WGS
 | | Crystal structure of V30M-TTR in complex with compound 4 | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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9B71
 | | Cryo-EM structure of MraY in complex with analogue 3 | | Descriptor: | (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[4-[[[(2~{S})-5-carbamimidamido-2-(hexadecanoylamino)pentanoyl]amino]methyl]phenyl]methylamino]propanoic acid, MraYAA Nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2024-03-26 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target.
Nat Commun, 15, 2024
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