7CB3
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![BU of 7cb3 by Molmil](/molmil-images/mine/7cb3) | Crystal structure of type III polyketide synthase from Mycobacterium marinum | Descriptor: | ACETATE ION, Chalcone/stilbene synthase, MYRISTIC ACID, ... | Authors: | Pratap, S, Kant, A, Saxena, P, Krishnan, V. | Deposit date: | 2020-06-10 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal structure of type III polyketide synthase from Mycobacterium marinum. To Be Published
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7CY6
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![BU of 7cy6 by Molmil](/molmil-images/mine/7cy6) | Crystal Structure of CMD1 in complex with 5mC-DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(P*(5CM)P*GP*CP*GP*CP*GP*GP*GP*A)-3'), FE (II) ION, ... | Authors: | Li, W, Zhang, T, Sun, M, Ding, J. | Deposit date: | 2020-09-03 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1. Nat Commun, 12, 2021
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7CY7
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![BU of 7cy7 by Molmil](/molmil-images/mine/7cy7) | Crystal Structure of CMD1 in complex with DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(P*CP*GP*CP*GP*CP*GP*GP*GP*A)-3'), FE (II) ION, ... | Authors: | Li, W, Zhang, T, Sun, M, Ding, J. | Deposit date: | 2020-09-03 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1. Nat Commun, 12, 2021
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7D6B
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![BU of 7d6b by Molmil](/molmil-images/mine/7d6b) | Crystal structure of Oryza sativa Os4BGlu18 monolignol beta-glucosidase with delta-gluconolactone | Descriptor: | Beta-glucosidase 18, D-glucono-1,5-lactone, GLYCEROL, ... | Authors: | Baiya, S, Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2020-09-29 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of rice Os4BGlu18 monolignol beta-glucosidase. Plos One, 16, 2021
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7D6A
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![BU of 7d6a by Molmil](/molmil-images/mine/7d6a) | Crystal structure of Oryza sativa Os4BGlu18 monolignol beta-glucosidase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 18, GLYCEROL, ... | Authors: | Baiya, S, Pengthaisong, S, Ketudat Cairns, J.R. | Deposit date: | 2020-09-29 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural analysis of rice Os4BGlu18 monolignol beta-glucosidase. Plos One, 16, 2021
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7CY5
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![BU of 7cy5 by Molmil](/molmil-images/mine/7cy5) | Crystal Structure of CMD1 in complex with vitamin C | Descriptor: | ASCORBIC ACID, CITRIC ACID, FE (III) ION, ... | Authors: | Li, W, Zhang, T, Sun, M, Ding, J. | Deposit date: | 2020-09-03 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1. Nat Commun, 12, 2021
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3AAU
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![BU of 3aau by Molmil](/molmil-images/mine/3aau) | Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate | Descriptor: | CALCIUM ION, COPPER (II) ION, Cationic trypsin, ... | Authors: | Iyaguchi, D, Kawano, S, Toyota, E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
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7CYW
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![BU of 7cyw by Molmil](/molmil-images/mine/7cyw) | |
7DIF
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![BU of 7dif by Molmil](/molmil-images/mine/7dif) | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM ION, ... | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | Deposit date: | 2020-11-19 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor. Angew.Chem.Int.Ed.Engl., 60, 2021
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2XF0
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![BU of 2xf0 by Molmil](/molmil-images/mine/2xf0) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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2Y1R
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![BU of 2y1r by Molmil](/molmil-images/mine/2y1r) | Structure of MecA121 & ClpC N-domain complex | Descriptor: | ADAPTER PROTEIN MECA 1, NEGATIVE REGULATOR OF GENETIC COMPETENCE CLPC/MECB, S,R MESO-TARTARIC ACID | Authors: | Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G. | Deposit date: | 2010-12-10 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Structure and Mechanism of the Hexameric Meca-Clpc Molecular Machine. Nature, 471, 2011
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2XEY
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![BU of 2xey by Molmil](/molmil-images/mine/2xey) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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5TAO
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![BU of 5tao by Molmil](/molmil-images/mine/5tao) | |
2YM4
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![BU of 2ym4 by Molmil](/molmil-images/mine/2ym4) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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3ALE
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![BU of 3ale by Molmil](/molmil-images/mine/3ale) | |
3AIX
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![BU of 3aix by Molmil](/molmil-images/mine/3aix) | |
2YM6
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![BU of 2ym6 by Molmil](/molmil-images/mine/2ym6) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM5
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![BU of 2ym5 by Molmil](/molmil-images/mine/2ym5) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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1FI4
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![BU of 1fi4 by Molmil](/molmil-images/mine/1fi4) | THE X-RAY CRYSTAL STRUCTURE OF MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AT 2.3 ANGSTROM RESOLUTION. | Descriptor: | MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE | Authors: | Bonanno, J.B, Edo, C, Eswar, N, Pieper, U, Romanowski, M.J, Ilyin, V, Gerchman, S.E, Kycia, H, Studier, F.W, Sali, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2000-08-03 | Release date: | 2001-03-21 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 98, 2001
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2YM3
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![BU of 2ym3 by Molmil](/molmil-images/mine/2ym3) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM8
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![BU of 2ym8 by Molmil](/molmil-images/mine/2ym8) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | Deposit date: | 2011-06-06 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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6Y93
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![BU of 6y93 by Molmil](/molmil-images/mine/6y93) | Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS) | Descriptor: | Noc Binding Site (NBS), Nucleoid occlusion protein | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K. | Deposit date: | 2020-03-06 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family. Cell Rep, 32, 2020
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2J9Y
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![BU of 2j9y by Molmil](/molmil-images/mine/2j9y) | Tryptophan Synthase Q114N mutant in complex with Compound II | Descriptor: | (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... | Authors: | Blumenstein, L, Domratcheva, T, Niks, D, Ngo, H, Seidel, R, Dunn, M.F, Schlichting, I. | Deposit date: | 2006-11-16 | Release date: | 2007-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Betaq114N and Betat110V Mutations Reveal a Critically Important Role of the Substrate Alpha-Carboxylate Site in the Reaction Specificity of Tryptophan Synthase. Biochemistry, 46, 2007
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2J9Z
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![BU of 2j9z by Molmil](/molmil-images/mine/2j9z) | Tryptophan Synthase T110 mutant complex | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... | Authors: | Blumenstein, L, Domratcheva, T, Niks, D, Ngo, H, Seidel, R, Dunn, M.F, Schlichting, I. | Deposit date: | 2006-11-16 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Betaq114N and Betat110V Mutations Reveal a Critically Important Role of the Substrate Alpha-Carboxylate Site in the Reaction Specificity of Tryptophan Synthase. Biochemistry, 46, 2007
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2ZPQ
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![BU of 2zpq by Molmil](/molmil-images/mine/2zpq) | |