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7O0L
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BU of 7o0l by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093)
分子名称: 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, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
7O29
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BU of 7o29 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 20 (ADO_AD_044)
分子名称: 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, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
6RUP
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BU of 6rup by Molmil
Human mitochondrial single-stranded DNA binding protein, SSBP1, at 2.1 A resolution - elucidated sequence
分子名称: MAGNESIUM ION, SER-SER-SER-SER, Single-stranded DNA-binding protein, ...
著者Tarres-Sole, A, Chakraborty, A, Spelbrink, H.N, Delettre, C, Sola, M.
登録日2019-05-28
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dominant mutations in mtDNA maintenance gene SSBP1 cause optic atrophy and foveopathy.
J.Clin.Invest., 130, 2020
1YJI
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BU of 1yji by Molmil
RDC-refined Solution NMR structure of reduced putidaredoxin
分子名称: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
著者Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
登録日2005-01-14
公開日2005-06-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
1YJJ
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BU of 1yjj by Molmil
RDC-refined Solution NMR structure of oxidized putidaredoxin
分子名称: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
著者Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
登録日2005-01-14
公開日2005-06-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
1A6I
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BU of 1a6i by Molmil
TET REPRESSOR, CLASS D VARIANT
分子名称: TETRACYCLINE REPRESSOR PROTEIN CLASS D
著者Orth, P, Cordes, F, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W.
登録日1998-02-25
公開日1999-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational changes of the Tet repressor induced by tetracycline trapping.
J.Mol.Biol., 279, 1998
1BJR
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BU of 1bjr by Molmil
COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K
分子名称: CALCIUM ION, LACTOFERRIN, PROTEINASE K
著者Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L.
登録日1998-06-27
公開日1998-11-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K.
Proteins, 33, 1998
2TRT
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BU of 2trt by Molmil
TETRACYCLINE REPRESSOR CLASS D
分子名称: MAGNESIUM ION, TETRACYCLINE, TETRACYCLINE REPRESSOR CLASS D
著者Hinrichs, W, Kisker, C, Saenger, W.
登録日1994-03-04
公開日1996-06-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Tet repressor-tetracycline complex and regulation of antibiotic resistance.
Science, 264, 1994
2OGX
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BU of 2ogx by Molmil
The crystal structure of the molybdenum storage protein from Azotobacter vinelandii loaded with polyoxotungstates (WSto)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Molybdenum storage protein subunit alpha, ...
著者Schemberg, J, Warkentin, E, Ermler, U.
登録日2007-01-09
公開日2007-04-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
2XB5
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BU of 2xb5 by Molmil
Tet repressor (class D) in complex with 7-Iodotetracycline
分子名称: 7-IODOTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ...
著者Kisker, C, Saenger, W, Hinrichs, W.
登録日2010-04-05
公開日2010-10-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Tet repressor-tetracycline complex and regulation of antibiotic resistance.
Science, 264, 1994
3FT8
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BU of 3ft8 by Molmil
Structure of HSP90 bound with a noval fragment.
分子名称: (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
著者Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B.
登録日2009-01-12
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
3FT5
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BU of 3ft5 by Molmil
Structure of HSP90 bound with a novel fragment
分子名称: 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha
著者Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B.
登録日2009-01-12
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
1ORK
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BU of 1ork by Molmil
TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE
分子名称: 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR
著者Orth, P, Schnappinger, D, Sum, P.-E, Ellestad, G.A, Hillen, W, Saenger, W, Hinrichs, W.
登録日1998-05-21
公開日1999-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
2X9D
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BU of 2x9d by Molmil
Tet repressor (class D) in complex with iso-7-chlortetracycline
分子名称: CHLORIDE ION, ISO-7-CHLORTETRACYCLINE, TETRACYCLINE REPRESSOR PROTEIN CLASS D
著者Volkers, G, Hinrichs, W.
登録日2010-03-15
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Recognition of Drug Degradation Products by Target Proteins: Isotetracycline Binding to Tet Repressor.
J.Med.Chem., 54, 2011
6GS2
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BU of 6gs2 by Molmil
Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SA1707 protein, ...
著者Muckenfuss, L.M, Noeldeke, E.R, Niemann, V, Zocher, G, Stehle, T.
登録日2018-06-13
公開日2018-09-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural basis of cell wall peptidoglycan amidation by the GatD/MurT complex of Staphylococcus aureus.
Sci Rep, 8, 2018
6H5E
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BU of 6h5e by Molmil
Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus with bound AMPPNP
分子名称: DI(HYDROXYETHYL)ETHER, DUF1727 domain-containing protein, GLYCEROL, ...
著者Noeldeke, E.R, Niemann, V, Stoerk, E, Stehle, T.
登録日2018-07-24
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.139 Å)
主引用文献Structural basis of cell wall peptidoglycan amidation by the GatD/MurT complex of Staphylococcus aureus.
Sci Rep, 8, 2018
2XPW
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BU of 2xpw by Molmil
TetR(D) in complex with oxytetracycline and magnesium.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Dalm, D, Proft, J, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Tetr(D) in Complex with Oxytetracycline.
To be Published
2XPV
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BU of 2xpv by Molmil
TetR(D) in complex with minocycline and magnesium.
分子名称: (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, ...
著者Dalm, D, Proft, J, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tetr(D) in Complex with Minocycline.
To be Published
2XPU
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BU of 2xpu by Molmil
TetR(D) in complex with anhydrotetracycline.
分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ...
著者Dalm, D, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
4AUX
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BU of 4aux by Molmil
Tet repressor class D in complex with 9-nitrotetracycline
分子名称: (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, ...
著者Orth, P, Saenger, W, Hinrichs, W.
登録日2012-05-22
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tet Repressor Class D in Complex with 9-Nitrotetracycline and Magnesium
To be Published
4WWS
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BU of 4wws by Molmil
Structure of Chlorite dismutase-like Protein from Listeria monocytogenes
分子名称: POTASSIUM ION, Putative heme-dependent peroxidase lmo2113
著者Hagmueller, A, Mlynek, G, Djinovic-Carugo, K.
登録日2014-11-12
公開日2015-02-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and heme-binding properties of HemQ (chlorite dismutase-like protein) from Listeria monocytogenes.
Arch.Biochem.Biophys., 574, 2015
8CA0
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BU of 8ca0 by Molmil
Macrophage inhibitory factor (MIF) in complex with small molecule PAV174
分子名称: 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine, Macrophage migration inhibitory factor
著者Mueller, A, Torres, F, Roland, R, Korth, C.
登録日2023-01-24
公開日2024-02-07
実験手法SOLUTION NMR
主引用文献Oxidized MIF is a drug target at the molecular intersection between immune activation and tau cellular pathology
To Be Published
4M09
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BU of 4m09 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W146Y R173Q
分子名称: 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ...
著者Gysel, K, Hagmueller, A, Djinovic-Carugo, K.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
4M08
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BU of 4m08 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145V
分子名称: 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ...
著者Gysel, K, Hagmueller, A, Djinovic-Carugo, K.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
4M06
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BU of 4m06 by Molmil
Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F in Complex with Cyanide
分子名称: 1,2-ETHANEDIOL, CYANIDE ION, Chlorite dismutase, ...
著者Hagmueller, A, Gysel, K, Djinovic-Carugo, K.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014

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