7NXI
 
 | | PAF-D19S in 50 v/v % DMSO-water solution | | Descriptor: | Pc24g00380 protein | | Authors: | Czajlik, A, Batta, G. | | Deposit date: | 2021-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | 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
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5EHE
 | | Crystal structure of human carbonic anhydrase isozyme II with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2015-10-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
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6CVZ
 | | Crystal structure of the WD40-repeat of RFWD3 | | Descriptor: | E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION | | Authors: | 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) | | Deposit date: | 2018-03-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
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5ENG
 | | Crystal structure of the bromodomain of human CREBBP in complex with UP39 | | Descriptor: | CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5EP7
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7T39
 | | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | | Descriptor: | 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 | | Authors: | 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) | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
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1Y8A
 | | Structure of gene product AF1437 from Archaeoglobus fulgidus | | Descriptor: | MAGNESIUM ION, hypothetical protein AF1437 | | Authors: | Cuff, M.E, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of gene product AF1437 from Archaeoglobus fulgidus
To be published
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8C0I
 | | Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200L (acyl-enzyme intermediate) | | Descriptor: | CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ... | | Authors: | Sciuk, A, Jaskolski, M, Loch, J.I. | | Deposit date: | 2022-12-16 | | Release date: | 2023-05-03 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
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2IG8
 | | Crystal structure of a Protein of Unknown Function PA3499 from Pseudomonas aeruginosa | | Descriptor: | Hypothetical protein PA3499 | | Authors: | Zhang, R, Xu, X, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-09-22 | | Release date: | 2006-10-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of a hypothetical protein PA3499 from Pseudomonas aeruginosa
To be Published
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8C23
 | | Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (monoclinic form M200T#m) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | | Deposit date: | 2022-12-21 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.842 Å) | | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
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3EG0
 | | Crystal structure of the N114T mutant of ABL-SH3 domain | | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Camara-Artigas, A. | | Deposit date: | 2008-09-10 | | Release date: | 2009-09-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
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2J8T
 | | Human aldose reductase in complex with NADP and citrate at 0.82 angstrom | | Descriptor: | ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ... | | Authors: | Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R. | | Deposit date: | 2006-10-27 | | Release date: | 2007-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.82 Å) | | Cite: | 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
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2IJC
 | | Structure of a Conserved Protein of Unknown Function PA0269 from Pseudomonas aeruginosa | | Descriptor: | Hypothetical protein | | Authors: | Binkowski, T.A, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-09-29 | | Release date: | 2006-12-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Crystal Structure of a Conserved Hypothetical Protein PA0269 from Pseudomonas aeruginosa
To be Published
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2WEG
 | | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | | Deposit date: | 2009-03-31 | | Release date: | 2009-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
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5LIA
 | | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
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2WAA
 | | Structure of a family two carbohydrate esterase from Cellvibrio japonicus | | Descriptor: | ACETATE ION, GLYCEROL, XYLAN ESTERASE, ... | | Authors: | 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. | | Deposit date: | 2009-02-04 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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1YB2
 | | Structure of a putative methyltransferase from Thermoplasma acidophilum. | | Descriptor: | hypothetical protein Ta0852 | | Authors: | Cuff, M.E, Xu, X, Edwards, A, Savchenko, A, Sanishvili, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-12-18 | | Release date: | 2005-02-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of a putative methyltransferase from Thermoplasma acidophilum.
To be Published
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2IN3
 | | Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Hypothetical protein, ... | | Authors: | Cuff, M.E, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-10-05 | | Release date: | 2006-11-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
To be Published
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2IGT
 | | Crystal Structure of the SAM Dependent Methyltransferase from Agrobacterium tumefaciens | | Descriptor: | ACETIC ACID, FORMIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Joachimiak, A, Xu, X, Gu, J, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-09-25 | | Release date: | 2006-10-24 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal Structure of the SAM Dependent Methyltransferase from Agrobacterium tumefaciens
To be Published
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1Y0U
 | | Crystal Structure of the putative arsenical resistance operon repressor from Archaeoglobus fulgidus | | Descriptor: | ACETATE ION, arsenical resistance operon repressor, putative | | Authors: | Kim, Y, Joachimiak, A, Skarina, T, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-11-16 | | Release date: | 2004-12-28 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the putative arsenical resistance operon repressor from Archaeoglobus fulgidus
To be Published
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2IJL
 | | The structure of a putative ModE from Agrobacterium tumefaciens. | | Descriptor: | 1,2-ETHANEDIOL, Molybdenum-binding transcriptional repressor, SULFATE ION | | Authors: | Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-09-29 | | Release date: | 2006-10-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of a putative ModE from Agrobacterium tumefaciens.
To be Published
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2J91
 | | Crystal structure of Human Adenylosuccinate Lyase in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ... | | Authors: | 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. | | Deposit date: | 2006-11-01 | | Release date: | 2006-11-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Human Adenylosuccinate Lyase
To be Published
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2WAB
 | | Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase | | Descriptor: | ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ... | | Authors: | 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. | | Deposit date: | 2009-02-04 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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2IGS
 | | Crystal Structure of the Protein of Unknown Function from Pseudomonas aeruginosa | | Descriptor: | ACETIC ACID, GLYCEROL, Hypothetical protein, ... | | Authors: | Kim, Y, Joachimiak, A, Skarina, T, Egorova, O, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-09-25 | | Release date: | 2006-10-24 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of the Hypothetical Protein from Pseudomonas aeruginosa
To be Published
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2WEH
 | | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | | Deposit date: | 2009-03-31 | | Release date: | 2009-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
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