5XSB
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![BU of 5xsb by Molmil](/molmil-images/mine/5xsb) | Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-13 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.918 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XS6
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![BU of 5xs6 by Molmil](/molmil-images/mine/5xs6) | Crystal Structure of Transketolase in complex with TPP Pichia Stipitis | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, THIAMINE DIPHOSPHATE, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-12 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.972 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XTL
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![BU of 5xtl by Molmil](/molmil-images/mine/5xtl) | Crystal Structure of Transketolase in complex with aminopyrimidine and cysteine sulfonic acid adduct from Pichia Stipitis | Descriptor: | 2-methylpyrimidin-4-amine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-20 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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3FDN
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![BU of 3fdn by Molmil](/molmil-images/mine/3fdn) | Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity | Descriptor: | N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide, Serine/threonine-protein kinase 6 | Authors: | Leou, J.S, Wu, J.S, Coumar, M.S, Shukla, P, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2008-11-26 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity J.Med.Chem., 52, 2009
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5XSA
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![BU of 5xsa by Molmil](/molmil-images/mine/5xsa) | Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-13 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.975 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XTV
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![BU of 5xtv by Molmil](/molmil-images/mine/5xtv) | Crystal Structure of Transketolase in complex with TPP intermediate V from Pichia Stipitis | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-21 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.931 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XVT
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![BU of 5xvt by Molmil](/molmil-images/mine/5xvt) | Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal 2 | Descriptor: | 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-28 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XSM
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![BU of 5xsm by Molmil](/molmil-images/mine/5xsm) | Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-14 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XRY
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![BU of 5xry by Molmil](/molmil-images/mine/5xry) | |
4OVM
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![BU of 4ovm by Molmil](/molmil-images/mine/4ovm) | Crystal structure of SgcJ protein from Streptomyces carzinostaticus | Descriptor: | uncharacterized protein SgcJ | Authors: | Chang, C, Bigelow, L, Clancy, S, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-11-20 | Release date: | 2013-12-25 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.719 Å) | Cite: | Crystal structure of SgcJ, an NTF2-like superfamily protein involved in biosynthesis of the nine-membered enediyne antitumor antibiotic C-1027. J.Antibiot., 2016
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2OJ9
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![BU of 2oj9 by Molmil](/molmil-images/mine/2oj9) | Structure of IGF-1R kinase domain complexed with a benzimidazole inhibitor | Descriptor: | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE, Insulin-like growth factor 1 receptor precursor (EC 2.7.10.1) (Insulin-like growth factor I receptor) (IGF-I receptor) (CD221 antigen) | Authors: | Sack, J.S, Jacobson, B.L. | Deposit date: | 2007-01-12 | Release date: | 2007-05-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R). Bioorg.Med.Chem.Lett., 17, 2007
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7EUZ
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![BU of 7euz by Molmil](/molmil-images/mine/7euz) | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | Descriptor: | (2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid, Cupin domain-containing protein, FE (III) ION, ... | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | Deposit date: | 2021-05-19 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91028166 Å) | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions. Acs Catalysis, 12, 2022
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7EUE
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7F6X
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![BU of 7f6x by Molmil](/molmil-images/mine/7f6x) | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | Descriptor: | 1H-INDOLE-3-CARBALDEHYDE, Cupin domain-containing protein, FE (III) ION, ... | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | Deposit date: | 2021-06-26 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-MediatedLewis-Acid-Dependent Epimerization and Retro-Aldol Reactions. Acs Catalysis, 12, 2022
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7EQK
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![BU of 7eqk by Molmil](/molmil-images/mine/7eqk) | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | Descriptor: | (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid, 1-(1~{H}-indol-3-yl)ethanone, Cupin domain-containing protein, ... | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | Deposit date: | 2021-05-03 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.04001021 Å) | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions. Acs Catalysis, 12, 2022
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7EUP
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![BU of 7eup by Molmil](/molmil-images/mine/7eup) | Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis. | Descriptor: | (2S,3R)-2-azanyl-3-phenyl-butanoic acid, Cupin domain-containing protein, FE (III) ION | Authors: | Li, T.L, Li, Y.S, Chen, M.H. | Deposit date: | 2021-05-18 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11043429 Å) | Cite: | Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions. Acs Catalysis, 12, 2022
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7EU6
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![BU of 7eu6 by Molmil](/molmil-images/mine/7eu6) | |
1IGJ
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![BU of 1igj by Molmil](/molmil-images/mine/1igj) | |
1IGI
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![BU of 1igi by Molmil](/molmil-images/mine/1igi) | |
1ATL
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![BU of 1atl by Molmil](/molmil-images/mine/1atl) | Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D) | Descriptor: | CALCIUM ION, O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine, Snake venom metalloproteinase atrolysin-D, ... | Authors: | Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F. | Deposit date: | 1995-05-26 | Release date: | 1995-10-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d). Proc.Natl.Acad.Sci.USA, 91, 1994
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4M74
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![BU of 4m74 by Molmil](/molmil-images/mine/4m74) | Mutant structure of methyltransferase from Streptomyces hygroscopicus | Descriptor: | (2R)-2-hydroxy-3-phenylpropanoic acid, (2S,3R)-2,3-dihydroxy-3-phenylpropanoic acid, CALCIUM ION, ... | Authors: | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | Deposit date: | 2013-08-12 | Release date: | 2014-06-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase Acta Crystallogr.,Sect.D, 70, 2014
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6J32
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![BU of 6j32 by Molmil](/molmil-images/mine/6j32) | Crystal Structure Analysis of the Glycotransferase of kitacinnamycin | Descriptor: | Kcn28 | Authors: | Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Genome mining and biosynthesis of kitacinnamycins as a STING activator. Chem Sci, 10, 2019
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4M71
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![BU of 4m71 by Molmil](/molmil-images/mine/4m71) | Mutant structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-homocysteine and methylphenylpyruvic acid | Descriptor: | (2R)-2-hydroxy-3-phenylpropanoic acid, (3R)-2-oxo-3-phenylbutanoic acid, CALCIUM ION, ... | Authors: | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | Deposit date: | 2013-08-12 | Release date: | 2014-06-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase Acta Crystallogr.,Sect.D, 70, 2014
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4M6X
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![BU of 4m6x by Molmil](/molmil-images/mine/4m6x) | Mutant structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-homocysteine and methylphenylpyruvic acid | Descriptor: | (2R)-2-hydroxy-3-phenylpropanoic acid, (3R)-2-oxo-3-phenylbutanoic acid, CALCIUM ION, ... | Authors: | Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L. | Deposit date: | 2013-08-12 | Release date: | 2014-06-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase Acta Crystallogr.,Sect.D, 70, 2014
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6J31
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![BU of 6j31 by Molmil](/molmil-images/mine/6j31) | Crystal Structure Analysis of the Glycotransferase of kitacinnamycin | Descriptor: | (2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid), DBB-DSG-VAL-MEA-VAL-GLY-GLY-DVA-DLE, kcn28 | Authors: | Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Genome mining and biosynthesis of kitacinnamycins as a STING activator. Chem Sci, 10, 2019
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