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7NXI
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BU of 7nxi by Molmil
PAF-D19S in 50 v/v % DMSO-water solution
分子名称: Pc24g00380 protein
著者Czajlik, A, Batta, G.
登録日2021-03-18
公開日2022-03-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study.
Int J Mol Sci, 24, 2023
5EHE
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BU of 5ehe by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2015-10-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
6CVZ
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BU of 6cvz by Molmil
Crystal structure of the WD40-repeat of RFWD3
分子名称: E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION
著者DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC)
登録日2018-03-29
公開日2018-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
5ENG
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BU of 5eng by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UP39
分子名称: CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
著者Dong, J, Caflisch, A.
登録日2015-11-09
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5EP7
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BU of 5ep7 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UN32
分子名称: 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
7T39
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BU of 7t39 by Molmil
Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
分子名称: 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9
著者Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-12-07
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
1Y8A
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BU of 1y8a by Molmil
Structure of gene product AF1437 from Archaeoglobus fulgidus
分子名称: MAGNESIUM ION, hypothetical protein AF1437
著者Cuff, M.E, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-12-10
公開日2005-01-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of gene product AF1437 from Archaeoglobus fulgidus
To be published
8C0I
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BU of 8c0i by Molmil
Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200L (acyl-enzyme intermediate)
分子名称: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ...
著者Sciuk, A, Jaskolski, M, Loch, J.I.
登録日2022-12-16
公開日2023-05-03
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
2IG8
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BU of 2ig8 by Molmil
Crystal structure of a Protein of Unknown Function PA3499 from Pseudomonas aeruginosa
分子名称: Hypothetical protein PA3499
著者Zhang, R, Xu, X, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-22
公開日2006-10-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a hypothetical protein PA3499 from Pseudomonas aeruginosa
To be Published
8C23
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BU of 8c23 by Molmil
Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (monoclinic form M200T#m)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
登録日2022-12-21
公開日2023-05-03
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
3EG0
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BU of 3eg0 by Molmil
Crystal structure of the N114T mutant of ABL-SH3 domain
分子名称: GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2008-09-10
公開日2009-09-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
2J8T
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BU of 2j8t by Molmil
Human aldose reductase in complex with NADP and citrate at 0.82 angstrom
分子名称: ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ...
著者Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R.
登録日2006-10-27
公開日2007-05-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.82 Å)
主引用文献The Atomic Resolution Structure of Human Aldose Reductase Reveals that Rearrangement of a Bound Ligand Allows the Opening of the Safety-Belt Loop.
Acta Crystallogr.,Sect.D, 63, 2007
2IJC
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BU of 2ijc by Molmil
Structure of a Conserved Protein of Unknown Function PA0269 from Pseudomonas aeruginosa
分子名称: Hypothetical protein
著者Binkowski, T.A, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-29
公開日2006-12-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Crystal Structure of a Conserved Hypothetical Protein PA0269 from Pseudomonas aeruginosa
To be Published
2WEG
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BU of 2weg by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
5LIA
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BU of 5lia by Molmil
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P.
登録日2016-07-14
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
2WAA
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BU of 2waa by Molmil
Structure of a family two carbohydrate esterase from Cellvibrio japonicus
分子名称: ACETATE ION, GLYCEROL, XYLAN ESTERASE, ...
著者Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
登録日2009-02-04
公開日2009-03-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
1YB2
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BU of 1yb2 by Molmil
Structure of a putative methyltransferase from Thermoplasma acidophilum.
分子名称: hypothetical protein Ta0852
著者Cuff, M.E, Xu, X, Edwards, A, Savchenko, A, Sanishvili, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-12-18
公開日2005-02-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of a putative methyltransferase from Thermoplasma acidophilum.
To be Published
2IN3
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BU of 2in3 by Molmil
Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Hypothetical protein, ...
著者Cuff, M.E, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-10-05
公開日2006-11-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
To be Published
2IGT
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BU of 2igt by Molmil
Crystal Structure of the SAM Dependent Methyltransferase from Agrobacterium tumefaciens
分子名称: ACETIC ACID, FORMIC ACID, GLYCEROL, ...
著者Kim, Y, Joachimiak, A, Xu, X, Gu, J, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-25
公開日2006-10-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of the SAM Dependent Methyltransferase from Agrobacterium tumefaciens
To be Published
1Y0U
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BU of 1y0u by Molmil
Crystal Structure of the putative arsenical resistance operon repressor from Archaeoglobus fulgidus
分子名称: ACETATE ION, arsenical resistance operon repressor, putative
著者Kim, Y, Joachimiak, A, Skarina, T, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-11-16
公開日2004-12-28
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the putative arsenical resistance operon repressor from Archaeoglobus fulgidus
To be Published
2IJL
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BU of 2ijl by Molmil
The structure of a putative ModE from Agrobacterium tumefaciens.
分子名称: 1,2-ETHANEDIOL, Molybdenum-binding transcriptional repressor, SULFATE ION
著者Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-29
公開日2006-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of a putative ModE from Agrobacterium tumefaciens.
To be Published
2J91
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BU of 2j91 by Molmil
Crystal structure of Human Adenylosuccinate Lyase in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ...
著者Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
登録日2006-11-01
公開日2006-11-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Human Adenylosuccinate Lyase
To be Published
2WAB
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BU of 2wab by Molmil
Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase
分子名称: ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ...
著者Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
登録日2009-02-04
公開日2009-03-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
2IGS
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BU of 2igs by Molmil
Crystal Structure of the Protein of Unknown Function from Pseudomonas aeruginosa
分子名称: ACETIC ACID, GLYCEROL, Hypothetical protein, ...
著者Kim, Y, Joachimiak, A, Skarina, T, Egorova, O, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-25
公開日2006-10-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal Structure of the Hypothetical Protein from Pseudomonas aeruginosa
To be Published
2WEH
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BU of 2weh by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009

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