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8A74
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BU of 8a74 by Molmil
PcIDS1_F315A in complex with Mg2+ and GPP
分子名称: GERANYL DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION
著者Ecker, F, Boland, W, Groll, M.
登録日2022-06-20
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
1NZC
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BU of 1nzc by Molmil
The high resolution structures of RmlC from Streptococcus suis in complex with dTDP-D-xylose
分子名称: NICKEL (II) ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
著者Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
登録日2003-02-17
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
8AID
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BU of 8aid by Molmil
Crystal structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, PA4183
著者Popp, M.A, Blankenfeldt, W.
登録日2022-07-26
公開日2022-11-30
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure of N-terminally truncated PA4183 from P. aeruginosa PAO1
To Be Published
5B25
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BU of 5b25 by Molmil
Crystal structure of human PDE1B with inhibitor 3
分子名称: (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ...
著者Ida, K, Lane, W, Snell, G, Sogabe, S.
登録日2016-01-07
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases
J.Med.Chem., 59, 2016
8AJQ
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BU of 8ajq by Molmil
Crystal structure of PA2722 from Pseudomonas aeruginosa PAO1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CENP-V/GFA domain-containing protein, GLYCEROL, ...
著者Popp, M.A, Blankenfeldt, W.
登録日2022-07-28
公開日2022-10-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of PA2722 from P. aeruginosa PAO1
To Be Published
3NKV
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BU of 3nkv by Molmil
Crystal structure of Rab1b covalently modified with AMP at Y77
分子名称: ADENOSINE MONOPHOSPHATE, BARIUM ION, MAGNESIUM ION, ...
著者Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2010-06-21
公開日2010-08-04
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
2YJJ
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BU of 2yjj by Molmil
Structure of Dps from MICROBACTERIUM ARBORESCENS in the low iron form
分子名称: AFP, FE (III) ION, Iron(II) oxide
著者Zeth, K, Buecheler, R, Boland, W.
登録日2011-05-19
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure and Mechanism of Iron Translocation by a Dps Protein from Microbacterium Arborescens.
J.Biol.Chem., 286, 2011
2YJK
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Structure of Dps from MICROBACTERIUM ARBORESCENS in the high iron form
分子名称: AFP, FE (III) ION, Iron(II) oxide
著者Zeth, K, Buecheler, R, Boland, W.
登録日2011-05-19
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Mechanism of Iron Translocation by a Dps Protein from Microbacterium Arborescens.
J.Biol.Chem., 286, 2011
1OWD
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BU of 1owd by Molmil
Substituted 2-Naphthamidine inhibitors of urokinase
分子名称: 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
3NKU
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BU of 3nku by Molmil
Crystal structure of the N-terminal domain of DrrA/SidM from Legionella pneumophila
分子名称: DI(HYDROXYETHYL)ETHER, DrrA, TRIETHYLENE GLYCOL
著者Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2010-06-21
公開日2010-08-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b.
Science, 329, 2010
1NYW
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BU of 1nyw by Molmil
The high resolution structures of RmlC from Streptoccus suis in complex with dTDP-D-glucose
分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
著者Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
登録日2003-02-14
公開日2003-06-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
3N6O
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BU of 3n6o by Molmil
Crystal structure of the GEF and P4M domain of DrrA/SidM from Legionella pneumophila
分子名称: SULFATE ION, guanine nucleotide exchange factor
著者Schoebel, S, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2010-05-26
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-affinity binding of phosphatidylinositol 4-phosphate by Legionella pneumophila DrrA.
Embo Rep., 11, 2010
3KH4
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BU of 3kh4 by Molmil
Crystal structure of human Cu/Zn superoxide dismutase recombinantly produced in Leishmania tarantolae; P6522 crystal form containing 6 chains in the asymmetric unit
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Gazdag, E.M, Blankenfeldt, W.
登録日2009-10-30
公開日2010-08-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Purification and crystallization of human Cu/Zn superoxide dismutase recombinantly produced in the protozoan Leishmania tarentolae.
Acta Crystallogr.,Sect.F, 66, 2010
1OWH
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BU of 1owh by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWE
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BU of 1owe by Molmil
Substituted 2-Naphthamidine inhibitors of urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWJ
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BU of 1owj by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWK
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BU of 1owk by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWI
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BU of 1owi by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
2Q0J
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BU of 2q0j by Molmil
Structure of Pseudomonas Quinolone Signal Response Protein PqsE
分子名称: BENZOIC ACID, FE (III) ION, Quinolone signal response protein
著者Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W.
登録日2007-05-22
公開日2008-06-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
5MBR
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BU of 5mbr by Molmil
Quadruplex with flipped tetrad formed by a human telomeric sequence
分子名称: G-quadruplex formed by a human telomeric sequence modified with 2'-fluoro-2'-deoxyriboguanosine
著者Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
登録日2016-11-08
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
5MCR
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BU of 5mcr by Molmil
Quadruplex with flipped tetrad formed by an artificial sequence
分子名称: Artificial quadruplex with propeller, diagonal and lateral loop
著者Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
登録日2016-11-10
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
5MZW
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BU of 5mzw by Molmil
Crystal structure of the decarboxylase AibA/AibB
分子名称: GLYCEROL, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MZY
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BU of 5mzy by Molmil
Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog
分子名称: (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N00
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Crystal structure of the decarboxylase AibA/AibB C56A variant
分子名称: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NCH
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GriE apo form
分子名称: Leucine hydroxylase
著者Lukat, P, Blankenfeldt, W, Mueller, R.
登録日2017-03-05
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017

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