7EYR
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![BU of 7eyr by Molmil](/molmil-images/mine/7eyr) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF apo | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION | Authors: | Tao, H, Mori, T, Abe, I. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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7EYW
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![BU of 7eyw by Molmil](/molmil-images/mine/7eyw) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with terretonin C | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION, N-OXALYLGLYCINE, ... | Authors: | Tao, H, Mori, T, Abe, I. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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7EYU
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![BU of 7eyu by Molmil](/molmil-images/mine/7eyu) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF-N65T mutant with andiconin D | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andiconin D, FE (II) ION, ... | Authors: | Tao, H, Mori, T, Abe, I. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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7EYS
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![BU of 7eys by Molmil](/molmil-images/mine/7eys) | Complex structure of SptF with Fe, alpha-ketoglutarate, and andiconin D | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andiconin D, ... | Authors: | Tao, H, Mori, T, Abe, I. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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7FCB
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![BU of 7fcb by Molmil](/molmil-images/mine/7fcb) | SptF 9 residues truncated mutant | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION, N-OXALYLGLYCINE | Authors: | Hui, T, Mori, T, Abe, I. | Deposit date: | 2021-07-14 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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7EYT
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![BU of 7eyt by Molmil](/molmil-images/mine/7eyt) | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with andilesin C and NOG | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andilesin C, FE (II) ION, ... | Authors: | Tao, H, Mori, T, Abe, I. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF. Nat Commun, 13, 2022
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4EYS
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![BU of 4eys by Molmil](/molmil-images/mine/4eys) | |
5T1S
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![BU of 5t1s by Molmil](/molmil-images/mine/5t1s) | Irak4 kinase - compound 1 co-structure | Descriptor: | 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4 | Authors: | Fischmann, T.O. | Deposit date: | 2016-08-22 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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5T1T
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![BU of 5t1t by Molmil](/molmil-images/mine/5t1t) | Irak4 kinase - compound 1 co-structure | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine | Authors: | Fischmann, T.O. | Deposit date: | 2016-08-22 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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6UEN
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![BU of 6uen by Molmil](/molmil-images/mine/6uen) | |
6UNV
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![BU of 6unv by Molmil](/molmil-images/mine/6unv) | |
4E5S
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![BU of 4e5s by Molmil](/molmil-images/mine/4e5s) | |
4FH8
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![BU of 4fh8 by Molmil](/molmil-images/mine/4fh8) | |
4PE7
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![BU of 4pe7 by Molmil](/molmil-images/mine/4pe7) | Crystal Structure of Calcium-loaded S100B bound to SC1982 | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | Deposit date: | 2014-04-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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4PE1
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![BU of 4pe1 by Molmil](/molmil-images/mine/4pe1) | Crystal Structure of Calcium-loaded S100B bound to SC124 | Descriptor: | CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | Deposit date: | 2014-04-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.576 Å) | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B. Biochemistry, 53, 2014
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4D4S
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![BU of 4d4s by Molmil](/molmil-images/mine/4d4s) | Focal Adhesion Kinase catalytic domain | Descriptor: | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, ... | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-10-31 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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4D5H
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![BU of 4d5h by Molmil](/molmil-images/mine/4d5h) | Focal Adhesion Kinase catalytic domain | Descriptor: | 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one, FOCAL ADHESION KINASE 1, SULFATE ION | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-11-05 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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4D5K
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![BU of 4d5k by Molmil](/molmil-images/mine/4d5k) | Focal Adhesion Kinase catalytic domain | Descriptor: | DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, SULFATE ION | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-11-05 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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4D4R
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![BU of 4d4r by Molmil](/molmil-images/mine/4d4r) | Focal Adhesion Kinase catalytic domain | Descriptor: | FOCAL ADHESION KINASE 1, SULFATE ION | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-10-31 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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4D55
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![BU of 4d55 by Molmil](/molmil-images/mine/4d55) | |
4D4V
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![BU of 4d4v by Molmil](/molmil-images/mine/4d4v) | Focal Adhesion Kinase catalytic domain | Descriptor: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, ... | Authors: | Le Coq, J, Lin, A, Lietha, D. | Deposit date: | 2014-10-31 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP. Biophys.J., 108, 2015
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1OMC
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![BU of 1omc by Molmil](/molmil-images/mine/1omc) | SOLUTION STRUCTURE OF OMEGA-CONOTOXIN GVIA USING 2-D NMR SPECTROSCOPY AND RELAXATION MATRIX ANALYSIS | Descriptor: | OMEGA-CONOTOXIN GVIA | Authors: | Davis, J.H, Bradley, E.K, Miljanich, G.P, Nadasdi, L, Ramachandran, J, Basus, V.J. | Deposit date: | 1993-04-28 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of omega-conotoxin GVIA using 2-D NMR spectroscopy and relaxation matrix analysis. Biochemistry, 32, 1993
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6BH3
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6BGW
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![BU of 6bgw by Molmil](/molmil-images/mine/6bgw) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41) | Descriptor: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.644 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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6BGY
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![BU of 6bgy by Molmil](/molmil-images/mine/6bgy) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | Descriptor: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-10-29 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A. J. Med. Chem., 61, 2018
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