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5XSA
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BU of 5xsa by Molmil
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
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Descriptor: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
Authors:Sheriff, S.
Deposit date:2020-08-11
Release date:2020-12-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
1IGI
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BU of 1igi by Molmil
26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE COMPLEMENTARITY
Descriptor: IGG2A-KAPPA 26-10 FAB (HEAVY CHAIN), IGG2A-KAPPA 26-10 FAB (LIGHT CHAIN)
Authors:Jeffrey, P.D, Sheriff, S.
Deposit date:1993-02-19
Release date:1993-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity.
Proc.Natl.Acad.Sci.USA, 90, 1993
1IGJ
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BU of 1igj by Molmil
26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE COMPLEMENTARITY
Descriptor: DIGOXIN, IGG2A-KAPPA 26-10 FAB (HEAVY CHAIN), IGG2A-KAPPA 26-10 FAB (LIGHT CHAIN)
Authors:Jeffrey, P.D, Sheriff, S.
Deposit date:1993-02-19
Release date:1993-04-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity.
Proc.Natl.Acad.Sci.USA, 90, 1993
1ATL
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BU of 1atl by Molmil
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:2024-10-23
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
4I4J
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BU of 4i4j by Molmil
The structure of SgcE10, the ACP-polyene thioesterase involved in C-1027 biosynthesis
Descriptor: 1,2-ETHANEDIOL, ACP-polyene thioesterase, D(-)-TARTARIC ACID, ...
Authors:Kim, Y, Bigelow, L, Bearden, J, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2012-11-27
Release date:2012-12-12
Last modified:2022-05-04
Method:X-RAY DIFFRACTION (2.784 Å)
Cite:Crystal Structure of Thioesterase SgcE10 Supporting Common Polyene Intermediates in 9- and 10-Membered Enediyne Core Biosynthesis.
Acs Omega, 2, 2017
4OVM
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BU of 4ovm by Molmil
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
7EU6
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BU of 7eu6 by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: Cupin domain-containing protein, FE (III) ION, PHOSPHITE ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-16
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.050108 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EUE
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BU of 7eue by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Cupin domain-containing protein, FE (III) ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08757067 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7F6X
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BU of 7f6x by Molmil
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
7EUZ
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BU of 7euz by Molmil
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
7EQK
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BU of 7eqk by Molmil
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
7EUP
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BU of 7eup by Molmil
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
2OJ9
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BU of 2oj9 by Molmil
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
4Q38
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BU of 4q38 by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA and teicoplanin
Descriptor: 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose, COENZYME A, Putative uncharacterized protein tcp24, ...
Authors:Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J.
Deposit date:2014-04-11
Release date:2014-09-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
4Q36
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BU of 4q36 by Molmil
The crystal structure of acyltransferase in complex with octanoyl-CoA and teicoplanin
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, OCTANOYL-COENZYME A, Putative uncharacterized protein tcp24, ...
Authors:Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J.
Deposit date:2014-04-11
Release date:2014-09-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
6J31
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BU of 6j31 by Molmil
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
6J32
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BU of 6j32 by Molmil
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
1MAK
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BU of 1mak by Molmil
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
Descriptor: IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
Authors:Constantine, K.L, Friedrichs, M.S, Metzler, W.J, Wittekind, M, Hensley, P, Mueller, L.
Deposit date:1993-09-16
Release date:1994-01-31
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
1MAJ
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BU of 1maj by Molmil
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
Descriptor: IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
Authors:Constantine, K.L, Friedrichs, M.S, Metzler, W.J, Wittekind, M, Hensley, P, Mueller, L.
Deposit date:1993-09-16
Release date:1994-01-31
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
4KIG
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BU of 4kig by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with 4-hydroxyphenylpyruvic acid
Descriptor: (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, CALCIUM ION, ...
Authors:Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 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
4KIB
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BU of 4kib by Molmil
Crystal 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:2013-05-02
Release date:2014-05-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (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
4KIF
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BU of 4kif by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with phenylpyruvic acid
Descriptor: (2R)-2-hydroxy-3-phenylpropanoic acid, 3-PHENYLPYRUVIC ACID, CALCIUM ION, ...
Authors:Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 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
4KIC
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BU of 4kic by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-methionine and phenylpyruvic acid
Descriptor: (2R)-2-hydroxy-3-phenylpropanoic acid, 3-PHENYLPYRUVIC ACID, CALCIUM ION, ...
Authors:Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.43 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
4M72
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BU of 4m72 by Molmil
Mutant structure of methyltransferase from Streptomyces hygroscopicus
Descriptor: (2R)-2-hydroxy-3-phenylpropanoic acid, (2R,3R)-2-hydroxy-3-methoxy-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 (2.1 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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