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2YAK
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BU of 2yak by Molmil
Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV)
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4
著者Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E.
登録日2011-02-23
公開日2011-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
4I1K
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BU of 4i1k by Molmil
Crystal Structure of VRN1 (Residues 208-341)
分子名称: B3 domain-containing transcription factor VRN1, CHLORIDE ION
著者King, G, Chanson, A.H, McCallum, E.J, Ohme-Takagi, M, Byriel, K, Hill, J.M, Martin, J.L, Mylne, J.S.
登録日2012-11-21
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Arabidopsis B3 Domain Protein VERNALIZATION1 (VRN1) Is Involved in Processes Essential for Development, with Structural and Mutational Studies Revealing Its DNA-binding Surface.
J.Biol.Chem., 288, 2013
7RIJ
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BU of 7rij by Molmil
[I11G]hyen D
分子名称: ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D
著者Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J.
登録日2021-07-20
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
7RIH
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BU of 7rih by Molmil
hyen D
分子名称: CITRATE ANION, Cyclotide hyen-D, D-[I11L]hyen D
著者Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K.
登録日2021-07-20
公開日2021-09-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
7RII
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BU of 7rii by Molmil
[I11L]hyen D crystal structure
分子名称: Cyclotide hyen-D, PHOSPHATE ION
著者Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K.
登録日2021-07-20
公開日2021-09-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
6WI6
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BU of 6wi6 by Molmil
Crystal structure of plantacyclin B21AG
分子名称: MALONATE ION, Plantacyclin B21AG
著者Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J.
登録日2020-04-08
公開日2021-01-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity.
Sci Rep, 10, 2020
8TR1
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BU of 8tr1 by Molmil
Crystal structure of trypanosome brucei hypoxanthine guanine phosphopribosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2- phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W.
登録日2023-08-09
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TS4
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BU of 8ts4 by Molmil
Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Guddat, L.W, Guddat, L.W.
登録日2023-08-10
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TPY
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BU of 8tpy by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R] 4-Guanin-9-yl-2-hydroxymethyl-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
著者Guddat, L.W.
登録日2023-08-06
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TPV
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BU of 8tpv by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Guddat, L.W.
登録日2023-08-05
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
7SB7
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BU of 7sb7 by Molmil
Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
分子名称: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W, Keough, D.T.
登録日2021-09-24
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.64716625 Å)
主引用文献Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
7SCR
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BU of 7scr by Molmil
Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
分子名称: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W, Keough, D.T.
登録日2021-09-29
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12068486 Å)
主引用文献Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
7SAN
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BU of 7san by Molmil
Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
分子名称: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W, Keough, D.T.
登録日2021-09-22
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58155513 Å)
主引用文献Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
3PUP
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BU of 3pup by Molmil
Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1)
分子名称: Glycogen synthase kinase-3 beta, Ruthenium octasporine
著者Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S.
登録日2010-12-06
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
8Q6P
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BU of 8q6p by Molmil
X. laevis CMG dimer bound to dimeric DONSON - MCM ATPase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA replication licensing factor mcm2, DNA replication licensing factor mcm4-B, ...
著者Butryn, A, Cvetkovic, M.A, Costa, A.
登録日2023-08-14
公開日2023-10-18
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献The structural mechanism of dimeric DONSON in replicative helicase activation.
Mol.Cell, 83, 2023
8Q6O
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BU of 8q6o by Molmil
X. laevis CMG dimer bound to dimeric DONSON - without ATPase
分子名称: Cell division control protein 45 homolog, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
著者Butryn, A, Cvetkovic, M.A, Costa, A.
登録日2023-08-14
公開日2023-10-18
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献The structural mechanism of dimeric DONSON in replicative helicase activation.
Mol.Cell, 83, 2023
6GR0
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BU of 6gr0 by Molmil
Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin
分子名称: 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, GALLIUM (III) ION, Neutrophil gelatinase-associated lipocalin
著者Skerra, A, Eichinger, A.
登録日2018-06-08
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GQZ
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BU of 6gqz by Molmil
Petrobactin-binding engineered lipocalin without ligand
分子名称: Neutrophil gelatinase-associated lipocalin
著者Skerra, A, Eichinger, A.
登録日2018-06-08
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018

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