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4Y9M
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BU of 4y9m by Molmil
PA3825-EAL Metal-Free-Apo Structure
分子名称: PA3825-EAL, PHOSPHATE ION
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
4Y9P
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BU of 4y9p by Molmil
PA3825-EAL Ca-CdG Structure
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
5MF5
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BU of 5mf5 by Molmil
PA3825-EAL Mg-CdG Structure
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION
著者Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
登録日2016-11-17
公開日2016-12-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
5MFU
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BU of 5mfu by Molmil
PA3825-EAL Mn-pGpG Structure
分子名称: Diguanylate phosphodiesterase, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
著者Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
登録日2016-11-18
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
5MKG
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BU of 5mkg by Molmil
PA3825-EAL Ca-CdG Structure
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase
著者Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
登録日2016-12-04
公開日2016-12-14
最終更新日2025-01-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
3DEL
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BU of 3del by Molmil
The structure of CT381, the arginine binding protein from the periplasm Chlamydia trachomatis
分子名称: Arginine Binding Protein
著者Petit, P, Vuillard, L, Spinelli, S.
登録日2008-06-10
公開日2009-06-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Exploiting antigenic diversity for vaccine design: the Chlamydia ArtJ paradigm.
J.Biol.Chem., 2010
8PFP
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BU of 8pfp by Molmil
Crystal structure of WRN helicase domain in complex with ATPgammaS
分子名称: Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ZINC ION
著者Scheufler, C, Villard, F.
登録日2023-06-16
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
8PFL
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BU of 8pfl by Molmil
Crystal structure of WRN helicase domain in complex with 3
分子名称: 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION
著者Scheufler, C, Meyer, M, Moebitz, H.
登録日2023-06-16
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
8PFO
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BU of 8pfo by Molmil
Crystal structure of WRN helicase domain in complex with HRO761
分子名称: Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION, ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide
著者Scheufler, C, Meyer, M, Moebitz, H.
登録日2023-06-16
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
6Q7A
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BU of 6q7a by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2018-12-13
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2018-12-13
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
3N26
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BU of 3n26 by Molmil
Cpn0482 : the arginine binding protein from the periplasm of chlamydia Pneumoniae
分子名称: ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein
著者Petit, P, Garcia, C, Vuillard, L, Soriani, M, Grandi, G, Marseilles Structural Genomics Program AFMB (MSGP), Marseilles Structural Genomics Program @ AFMB (MSGP)
登録日2010-05-17
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploiting antigenic diversity for vaccine design: the Chlamydia ArtJ paradigm.
J.Biol.Chem., 2010
2WKO
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BU of 2wko by Molmil
Structure of metal loaded Pathogenic SOD1 Mutant G93A.
分子名称: COPPER (II) ION, IODIDE ION, SUPEROXIDE DISMUTASE [CU-ZN], ...
著者Antonyuk, S.V, Galaleldeen, A, Strange, R, Whitson, L, Narayana, N, Taylor, A, Schuermann, J.P, Holloway, S.P, Hasnain, S.S, Hart, P.J.
登録日2009-06-16
公開日2009-11-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Biophysical Properties of Metal-Free Pathogenic Sod1 Mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
5CY3
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BU of 5cy3 by Molmil
SYK catalytic domain complexed with a potent and orally bioavailable benzisothiazole inhibitor
分子名称: (5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2015-07-30
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
2XLM
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BU of 2xlm by Molmil
Cytochrome c prime from Alcaligenes xylosoxidans: Ferrous recombinant native with bound NO
分子名称: CYTOCHROME C', HEME C, NITRIC OXIDE, ...
著者Hough, M.A, Antonyuk, S.V, Strange, R, Hasnain, S.S.
登録日2010-07-21
公開日2010-11-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Distal-to-Proximal No Conversion in Hemoproteins: The Role of the Proximal Pocket.
J.Mol.Biol., 405, 2011
2XLV
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BU of 2xlv by Molmil
Cytochrome c prime from Alcaligenes xylosoxidans: Ferrous R124F variant with bound NO
分子名称: CYTOCHROME C', HEME C, NITRIC OXIDE
著者Hough, M.A, Antonyuk, S.V, Strange, R, Hasnain, S.S.
登録日2010-07-22
公開日2010-11-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Distal-to-Proximal No Conversion in Hemoproteins: The Role of the Proximal Pocket.
J.Mol.Biol., 405, 2011
1OC4
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BU of 1oc4 by Molmil
Lactate dehydrogenase from Plasmodium berghei
分子名称: GLYCEROL, L-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Winter, V.J, Brady, R.L.
登録日2003-02-05
公開日2003-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Plasmodium Berghei Lactate Dehydrogenase Indicates the Unique Structural Differences of These Enzymes are Shared Across the Plasmodium Genus
Mol.Biochem.Parasitol., 131, 2003
1OVB
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BU of 1ovb by Molmil
THE MECHANISM OF IRON UPTAKE BY TRANSFERRINS: THE STRUCTURE OF AN 18KD NII-DOMAIN FRAGMENT AT 2.3 ANGSTROMS RESOLUTION
分子名称: CARBONATE ION, FE (III) ION, OVOTRANSFERRIN
著者Kuser, P, Lindley, P, Sarra, R.
登録日1992-10-05
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The mechanism of iron uptake by transferrins: the structure of an 18 kDa NII-domain fragment from duck ovotransferrin at 2.3 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
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