8A32
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![BU of 8a32 by Molmil](/molmil-images/mine/8a32) | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | Descriptor: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-06-06 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C. Acs Pharmacol Transl Sci, 5, 2022
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3BWC
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![BU of 3bwc by Molmil](/molmil-images/mine/3bwc) | Crystal structure of spermidine synthase from Trypanosoma cruzi in complex with SAM at 2.3 A resolution | Descriptor: | BETA-MERCAPTOETHANOL, S-ADENOSYLMETHIONINE, Spermidine synthase | Authors: | Bosch, J, Arakaki, T.L, Le Trong, I, Merritt, E.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2008-01-09 | Release date: | 2008-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of spermidine synthase from Trypanosoma cruzi. To be Published
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3C57
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2Y1W
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![BU of 2y1w by Molmil](/molmil-images/mine/2y1w) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | Descriptor: | 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN | Authors: | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | Deposit date: | 2010-12-10 | Release date: | 2011-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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2Y4J
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![BU of 2y4j by Molmil](/molmil-images/mine/2y4j) | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH LACTATE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LACTIC ACID, MANNOSYLGLYCERATE SYNTHASE, ... | Authors: | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2011-01-07 | Release date: | 2011-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase. J.Biol.Chem., 286, 2011
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2YOY
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![BU of 2yoy by Molmil](/molmil-images/mine/2yoy) | Bacillus amyloliquefaciens CBM33 in complex with Cu(I) reduced using ascorbate | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, RBAM17540 | Authors: | Hemsworth, G.R, Taylor, E.J, Kim, R.Q, Lewis, S.J, Turkenburg, J.P, Davies, G.J, Walton, P.H. | Deposit date: | 2012-10-29 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Copper Active Site of Cbm33 Polysaccharide Oxygenases. J.Am.Chem.Soc., 135, 2013
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2WTX
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![BU of 2wtx by Molmil](/molmil-images/mine/2wtx) | Insight into the mechanism of enzymatic glycosyltransfer with retention through the synthesis and analysis of bisubstrate glycomimetics of trehalose-6-phosphate synthase | Descriptor: | 1,2-ETHANEDIOL, ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE [UDP-FORMING], ... | Authors: | Errey, J.C, Lee, S.S, Gibson, R.P, Martinez-Fleites, C, Barry, C.S, Jung, P.M.J, OSullivan, A, Davis, B.G, Davies, G.J. | Deposit date: | 2009-09-25 | Release date: | 2010-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic Insight Into Enzymatic Glycosyl Transfer with Retention of Configuration Through Analysis of Glycomimetic Inhibitors. Angew.Chem.Int.Ed.Engl., 49, 2010
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2WV5
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![BU of 2wv5 by Molmil](/molmil-images/mine/2wv5) | Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction with a GLN to Glu substitution at P1 | Descriptor: | FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C | Authors: | Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S. | Deposit date: | 2009-10-13 | Release date: | 2009-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate. J.Mol.Biol., 395, 2010
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2WVY
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![BU of 2wvy by Molmil](/molmil-images/mine/2wvy) | STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT2199 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 | Descriptor: | ALPHA-1,2-MANNOSIDASE | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2009-10-21 | Release date: | 2009-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont. Nat.Chem.Biol., 6, 2010
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2X7O
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![BU of 2x7o by Molmil](/molmil-images/mine/2x7o) | Crystal structure of TGFbRI complexed with an indolinone inhibitor | Descriptor: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | Authors: | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | Deposit date: | 2010-03-03 | Release date: | 2010-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri) J.Med.Chem., 53, 2010
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2WQ5
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![BU of 2wq5 by Molmil](/molmil-images/mine/2wq5) | Non-antibiotic properties of tetracyclines: structural basis for inhibition of secretory phospholipase A2. | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CALCIUM ION, PHOSPHOLIPASE A2, ... | Authors: | Dalm, D, Palm, G.J, Hinrichs, W. | Deposit date: | 2009-08-13 | Release date: | 2010-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Non-Antibiotic Properties of Tetracyclines: Structural Basis for Inhibition of Secretory Phospholipase A(2). J.Mol.Biol., 398, 2010
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2WW2
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![BU of 2ww2 by Molmil](/molmil-images/mine/2ww2) | Structure of the Family GH92 Inverting Mannosidase BT2199 from Bacteroides thetaiotaomicron VPI-5482 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, ALPHA-1,2-MANNOSIDASE, ... | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2009-10-21 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont. Nat.Chem.Biol., 6, 2010
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2WYJ
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![BU of 2wyj by Molmil](/molmil-images/mine/2wyj) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
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2WV4
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![BU of 2wv4 by Molmil](/molmil-images/mine/2wv4) | Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction | Descriptor: | FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C | Authors: | Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S. | Deposit date: | 2009-10-13 | Release date: | 2009-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate. J.Mol.Biol., 395, 2010
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2WZI
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![BU of 2wzi by Molmil](/molmil-images/mine/2wzi) | BtGH84 D243N in complex with 5F-oxazoline | Descriptor: | (3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, GLYCEROL, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2009-11-30 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase J.Am.Chem.Soc., 132, 2010
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2WZ8
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![BU of 2wz8 by Molmil](/molmil-images/mine/2wz8) | Family 35 carbohydrate binding module from Clostridium thermocellum | Descriptor: | CALCIUM ION, CELLULOSOME PROTEIN DOCKERIN TYPE I, MAGNESIUM ION | Authors: | Gloster, T.M, Davies, G.J, Fontes, C.M, Gilbert, H.J. | Deposit date: | 2009-11-25 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Signature Active Site Architectures Illuminate the Molecular Basis for Ligand Specificity in Family 35 Carbohydrate Binding Module . Biochemistry, 49, 2010
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8C4I
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8Q59
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![BU of 8q59 by Molmil](/molmil-images/mine/8q59) | Crystal structure of metal-dependent class II sulfofructose phosphate aldolase from Yersinia aldovae in complex with sulfofructose phosphate (YaSqiA-Zn-SFP) | Descriptor: | (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid, SODIUM ION, Tagatose-1,6-bisphosphate aldolase kbaY, ... | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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2X8R
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![BU of 2x8r by Molmil](/molmil-images/mine/2x8r) | The structure of a family GH25 lysozyme from Aspergillus fumigatus | Descriptor: | CHLORIDE ION, GLYCOSYL HYDROLASE | Authors: | Korczynska, J.E, Danielsen, S, Schagerlof, U, Turkenburg, J.P, Davies, G.J, Wilson, K.S, Taylor, E.J. | Deposit date: | 2010-03-11 | Release date: | 2010-09-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of a Family Gh25 Lysozyme from Aspergillus Fumigatus Acta Crystallogr.,Sect.F, 66, 2010
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8Q5A
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![BU of 8q5a by Molmil](/molmil-images/mine/8q5a) | Crystal structure of metal-dependent class II sulfofructosephosphate aldolase from Hafnia paralvei HpSqiA-Zn in complex with dihydroxyacetone phosphate (DHAP) | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Ketose-bisphosphate aldolase, ZINC ION | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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8Q58
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![BU of 8q58 by Molmil](/molmil-images/mine/8q58) | |
8Q57
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![BU of 8q57 by Molmil](/molmil-images/mine/8q57) | Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, SULFATE ION, ... | Authors: | Sharma, M, Davies, G.J. | Deposit date: | 2023-08-08 | Release date: | 2023-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases. J.Biol.Chem., 299, 2023
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2WYI
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![BU of 2wyi by Molmil](/molmil-images/mine/2wyi) | Structure of the Streptococcus pyogenes family GH38 alpha-mannosidase complexed with swainsonine | Descriptor: | 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, 2-(2-METHOXYETHOXY)ETHANOL, ALPHA-MANNOSIDASE, ... | Authors: | Suits, M.D.L, Zhu, Y, Taylor, E.J, Zechel, D.L, Gilbert, H.J, Davies, G.J. | Deposit date: | 2009-11-16 | Release date: | 2010-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Kinetic Investigation of Streptococcus Pyogenes Family Gh38 Alpha-Mannosidase Plos One, 5, 2010
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2X3B
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![BU of 2x3b by Molmil](/molmil-images/mine/2x3b) | AsaP1 inactive mutant E294A, an extracellular toxic zinc metalloendopeptidase | Descriptor: | TOXIC EXTRACELLULAR ENDOPEPTIDASE, ZINC ION | Authors: | Bogdanovic, X, Palm, G.J, Singh, R.K, Hinrichs, W. | Deposit date: | 2010-01-22 | Release date: | 2011-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Evidence of Intramolecular Propeptide Inhibition of the Aspzincin Metalloendopeptidase Asap1. FEBS Lett., 590, 2016
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2XCZ
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![BU of 2xcz by Molmil](/molmil-images/mine/2xcz) | Crystal Structure of macrophage migration inhibitory factor homologue from Prochlorococcus marinus | Descriptor: | DI(HYDROXYETHYL)ETHER, POSSIBLE ATLS1-LIKE LIGHT-INDUCIBLE PROTEIN | Authors: | Wasiel, A.A, Rozeboom, H.J, Hauke, D, Baas, B.J, Zandvoort, E, Quax, W.J, Thunnissen, A.M.W.H, Poelarends, G.J. | Deposit date: | 2010-04-27 | Release date: | 2010-09-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural and Functional Characterization of a Macrophage Migration Inhibitory Factor Homologue from the Marine Cyanobacterium Prochlorococcus Marinus. Biochemistry, 49, 2010
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