7O0L
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![BU of 7o0l by Molmil](/molmil-images/mine/7o0l) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093) | Descriptor: | 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-26 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
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7O29
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![BU of 7o29 by Molmil](/molmil-images/mine/7o29) | Crystal structure of the human METTL3-METTL14 complex bound to Compound 20 (ADO_AD_044) | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | Deposit date: | 2021-03-30 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J.Med.Chem., 64, 2021
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6RUP
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![BU of 6rup by Molmil](/molmil-images/mine/6rup) | Human mitochondrial single-stranded DNA binding protein, SSBP1, at 2.1 A resolution - elucidated sequence | Descriptor: | MAGNESIUM ION, SER-SER-SER-SER, Single-stranded DNA-binding protein, ... | Authors: | Tarres-Sole, A, Chakraborty, A, Spelbrink, H.N, Delettre, C, Sola, M. | Deposit date: | 2019-05-28 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dominant mutations in mtDNA maintenance gene SSBP1 cause optic atrophy and foveopathy. J.Clin.Invest., 130, 2020
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1YJI
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![BU of 1yji by Molmil](/molmil-images/mine/1yji) | RDC-refined Solution NMR structure of reduced putidaredoxin | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | Authors: | Jain, N.U, Tjioe, E, Savidor, A, Boulie, J. | Deposit date: | 2005-01-14 | Release date: | 2005-06-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings. Biochemistry, 44, 2005
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1YJJ
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![BU of 1yjj by Molmil](/molmil-images/mine/1yjj) | RDC-refined Solution NMR structure of oxidized putidaredoxin | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin | Authors: | Jain, N.U, Tjioe, E, Savidor, A, Boulie, J. | Deposit date: | 2005-01-14 | Release date: | 2005-06-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings. Biochemistry, 44, 2005
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1A6I
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![BU of 1a6i by Molmil](/molmil-images/mine/1a6i) | TET REPRESSOR, CLASS D VARIANT | Descriptor: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Orth, P, Cordes, F, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | Deposit date: | 1998-02-25 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational changes of the Tet repressor induced by tetracycline trapping. J.Mol.Biol., 279, 1998
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1BJR
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![BU of 1bjr by Molmil](/molmil-images/mine/1bjr) | COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K | Descriptor: | CALCIUM ION, LACTOFERRIN, PROTEINASE K | Authors: | Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L. | Deposit date: | 1998-06-27 | Release date: | 1998-11-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K. Proteins, 33, 1998
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2TRT
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![BU of 2trt by Molmil](/molmil-images/mine/2trt) | TETRACYCLINE REPRESSOR CLASS D | Descriptor: | MAGNESIUM ION, TETRACYCLINE, TETRACYCLINE REPRESSOR CLASS D | Authors: | Hinrichs, W, Kisker, C, Saenger, W. | Deposit date: | 1994-03-04 | Release date: | 1996-06-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Tet repressor-tetracycline complex and regulation of antibiotic resistance. Science, 264, 1994
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2OGX
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![BU of 2ogx by Molmil](/molmil-images/mine/2ogx) | The crystal structure of the molybdenum storage protein from Azotobacter vinelandii loaded with polyoxotungstates (WSto) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Molybdenum storage protein subunit alpha, ... | Authors: | Schemberg, J, Warkentin, E, Ermler, U. | Deposit date: | 2007-01-09 | Release date: | 2007-04-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Towards Biological Supramolecular Chemistry: A Variety of Pocket-Templated, Individual Metal Oxide Cluster Nucleations in the Cavity of a Mo/W-Storage Protein. Angew.Chem.Int.Ed.Engl., 46, 2007
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2XB5
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![BU of 2xb5 by Molmil](/molmil-images/mine/2xb5) | Tet repressor (class D) in complex with 7-Iodotetracycline | Descriptor: | 7-IODOTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Kisker, C, Saenger, W, Hinrichs, W. | Deposit date: | 2010-04-05 | Release date: | 2010-10-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Tet repressor-tetracycline complex and regulation of antibiotic resistance. Science, 264, 1994
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3FT8
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![BU of 3ft8 by Molmil](/molmil-images/mine/3ft8) | Structure of HSP90 bound with a noval fragment. | Descriptor: | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha | Authors: | Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B. | Deposit date: | 2009-01-12 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based identification of Hsp90 inhibitors. Chemmedchem, 4, 2009
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3FT5
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![BU of 3ft5 by Molmil](/molmil-images/mine/3ft5) | Structure of HSP90 bound with a novel fragment | Descriptor: | 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B. | Deposit date: | 2009-01-12 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based Identification of Hsp90 Inhibitors. Chemmedchem, 4, 2009
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1ORK
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![BU of 1ork by Molmil](/molmil-images/mine/1ork) | TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE | Descriptor: | 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR | Authors: | Orth, P, Schnappinger, D, Sum, P.-E, Ellestad, G.A, Hillen, W, Saenger, W, Hinrichs, W. | Deposit date: | 1998-05-21 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the tet repressor in complex with a novel tetracycline, 9-(N,N-dimethylglycylamido)- 6-demethyl-6-deoxy-tetracycline. J.Mol.Biol., 285, 1999
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2X9D
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![BU of 2x9d by Molmil](/molmil-images/mine/2x9d) | |
6GS2
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![BU of 6gs2 by Molmil](/molmil-images/mine/6gs2) | Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SA1707 protein, ... | Authors: | Muckenfuss, L.M, Noeldeke, E.R, Niemann, V, Zocher, G, Stehle, T. | Deposit date: | 2018-06-13 | Release date: | 2018-09-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural basis of cell wall peptidoglycan amidation by the GatD/MurT complex of Staphylococcus aureus. Sci Rep, 8, 2018
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6H5E
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![BU of 6h5e by Molmil](/molmil-images/mine/6h5e) | Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus with bound AMPPNP | Descriptor: | DI(HYDROXYETHYL)ETHER, DUF1727 domain-containing protein, GLYCEROL, ... | Authors: | Noeldeke, E.R, Niemann, V, Stoerk, E, Stehle, T. | Deposit date: | 2018-07-24 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.139 Å) | Cite: | Structural basis of cell wall peptidoglycan amidation by the GatD/MurT complex of Staphylococcus aureus. Sci Rep, 8, 2018
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2XPW
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![BU of 2xpw by Molmil](/molmil-images/mine/2xpw) | TetR(D) in complex with oxytetracycline and magnesium. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Tetr(D) in Complex with Oxytetracycline. To be Published
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2XPV
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![BU of 2xpv by Molmil](/molmil-images/mine/2xpv) | TetR(D) in complex with minocycline and magnesium. | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Tetr(D) in Complex with Minocycline. To be Published
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2XPU
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![BU of 2xpu by Molmil](/molmil-images/mine/2xpu) | TetR(D) in complex with anhydrotetracycline. | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ... | Authors: | Dalm, D, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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4AUX
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![BU of 4aux by Molmil](/molmil-images/mine/4aux) | Tet repressor class D in complex with 9-nitrotetracycline | Descriptor: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Orth, P, Saenger, W, Hinrichs, W. | Deposit date: | 2012-05-22 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Tet Repressor Class D in Complex with 9-Nitrotetracycline and Magnesium To be Published
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4WWS
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![BU of 4wws by Molmil](/molmil-images/mine/4wws) | |
8CA0
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![BU of 8ca0 by Molmil](/molmil-images/mine/8ca0) | |
4M09
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![BU of 4m09 by Molmil](/molmil-images/mine/4m09) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W146Y R173Q | Descriptor: | 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ... | Authors: | Gysel, K, Hagmueller, A, Djinovic-Carugo, K. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
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4M08
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![BU of 4m08 by Molmil](/molmil-images/mine/4m08) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145V | Descriptor: | 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ... | Authors: | Gysel, K, Hagmueller, A, Djinovic-Carugo, K. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
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4M06
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![BU of 4m06 by Molmil](/molmil-images/mine/4m06) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F in Complex with Cyanide | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, Chlorite dismutase, ... | Authors: | Hagmueller, A, Gysel, K, Djinovic-Carugo, K. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
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