4Z1J
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![BU of 4z1j by Molmil](/molmil-images/mine/4z1j) | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | Descriptor: | 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | Deposit date: | 2015-03-27 | Release date: | 2015-08-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
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4YYK
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![BU of 4yyk by Molmil](/molmil-images/mine/4yyk) | Crystal structure of BRD9 Bromodomain bound to a crotonyllysine peptide | Descriptor: | Bromodomain-containing protein 9, Histone H4 | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | Deposit date: | 2015-03-24 | Release date: | 2015-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications. Structure, 23, 2015
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4X58
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![BU of 4x58 by Molmil](/molmil-images/mine/4x58) | Anthranilate phosphoribosyl transferase variant N138A from Mycobacterium tuberculosis in complex with PRPP and Mg | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, D-MALATE, ... | Authors: | Cookson, T.V.M, Evans, G.L, Parker, E.J, Lott, J.S. | Deposit date: | 2014-12-04 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site. Biochemistry, 54, 2015
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4WMG
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![BU of 4wmg by Molmil](/molmil-images/mine/4wmg) | Structure of hen egg-white lysozyme from a microfludic harvesting device using synchrotron radiation (2.5A) | Descriptor: | Lysozyme C | Authors: | Lyubimov, A.Y, Murray, T.D, Koehl, A, Uervirojnangkoorn, M, Zeldin, O.B, Cohen, A.E, Soltis, S.M, Baxter, E.M, Brewster, A.S, Sauter, N.K, Brunger, A.T, Berger, J.M. | Deposit date: | 2014-10-08 | Release date: | 2015-04-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array. Acta Crystallogr.,Sect.D, 71, 2015
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4X5A
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4Z1N
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![BU of 4z1n by Molmil](/molmil-images/mine/4z1n) | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | Descriptor: | 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | Deposit date: | 2015-03-27 | Release date: | 2015-08-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
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4WYI
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![BU of 4wyi by Molmil](/molmil-images/mine/4wyi) | |
4X5C
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![BU of 4x5c by Molmil](/molmil-images/mine/4x5c) | Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis with pyrophosphate/PRPP and Mg2+ bound | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION, ... | Authors: | Cookson, T.V.M, Parker, E.J, Lott, J.S. | Deposit date: | 2014-12-05 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site. Biochemistry, 54, 2015
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4X5D
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![BU of 4x5d by Molmil](/molmil-images/mine/4x5d) | Anthranilate phosphoribosyltransferase variant R193A from Mycobacterium tuberculosis with anthranilate bound | Descriptor: | 2-AMINOBENZOIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ... | Authors: | Cookson, T.V.M, Parker, E.J, Lott, J.S. | Deposit date: | 2014-12-05 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site. Biochemistry, 54, 2015
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4X5B
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4ZD3
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![BU of 4zd3 by Molmil](/molmil-images/mine/4zd3) | Structure of a transglutaminase 2-specific autoantibody Fab fragment | Descriptor: | 679-14-14E06 Fab fragment heavy chain, 679-14-14E06 Fab fragment light chain | Authors: | Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M. | Deposit date: | 2015-04-16 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease. J.Biol.Chem., 290, 2015
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4YYM
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![BU of 4yym by Molmil](/molmil-images/mine/4yym) | Crystal structure of TAF1 BD2 Bromodomain bound to a butyryllysine peptide | Descriptor: | CALCIUM ION, Histone H4, Transcription initiation factor TFIID subunit 1 | Authors: | Tang, Y, Bellon, S, Cochran, A.G, Poy, F. | Deposit date: | 2015-03-24 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications. Structure, 23, 2015
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4Z4X
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4YNY
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![BU of 4yny by Molmil](/molmil-images/mine/4yny) | Crystal structure of monoclonal anti-human podoplanin antibody NZ-1 | Descriptor: | Heavy chain of antigen binding fragment, Fab, Light chain of antigen binding fragment | Authors: | Fujii, Y, Kitago, Y, Arimori, T, Takagi, J. | Deposit date: | 2015-03-11 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | Tailored placement of a turn-forming PA tag into the structured domain of a protein to probe its conformational state J.Cell.Sci., 129, 2016
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4YOI
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![BU of 4yoi by Molmil](/molmil-images/mine/4yoi) | Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A | Descriptor: | 3C-like proteinase, ACETATE ION, FORMIC ACID, ... | Authors: | St John, S.E, Mesecar, A. | Deposit date: | 2015-03-11 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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4YR0
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![BU of 4yr0 by Molmil](/molmil-images/mine/4yr0) | Mutant Human DNA Polymerase Eta R61M Inserting dCTP Opposite an 8-Oxoguanine Lesion | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Su, Y, Patra, A, Harp, J.M, Egli, M, Guengerich, F.P. | Deposit date: | 2015-03-13 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine. J.Biol.Chem., 290, 2015
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4X1T
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![BU of 4x1t by Molmil](/molmil-images/mine/4x1t) | The crystal structure of Arabidopsis thaliana galactolipid synthase MGD1 in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, Monogalactosyldiacylglycerol synthase 1, chloroplastic, ... | Authors: | Rocha, J, Breton, C. | Deposit date: | 2014-11-25 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights and membrane binding properties of MGD1, the major galactolipid synthase in plants. Plant J., 85, 2016
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4X59
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![BU of 4x59 by Molmil](/molmil-images/mine/4x59) | Anthranilate phosphoribosyltransferase variant P180A from Mycobacterium tuberculosis in complex with PRPP and Mg | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, GLYCEROL, ... | Authors: | Cookson, T.V.M, Evans, G.L, Parker, E.J, Lott, J.S. | Deposit date: | 2014-12-04 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site. Biochemistry, 54, 2015
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4WZ0
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![BU of 4wz0 by Molmil](/molmil-images/mine/4wz0) | Crystal structure of U-box 1 of LubX / LegU2 / Lpp2887 from Legionella pneumophila str. Paris | Descriptor: | E3 ubiquitin-protein ligase LubX | Authors: | Stogios, P.J, Quaile, A.T, Skarina, T, Stein, A, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-18 | Release date: | 2015-01-14 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila. Structure, 23, 2015
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4WZV
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![BU of 4wzv by Molmil](/molmil-images/mine/4wzv) | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | Descriptor: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2014-11-20 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
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4Z1K
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![BU of 4z1k by Molmil](/molmil-images/mine/4z1k) | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | Descriptor: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | Deposit date: | 2015-03-27 | Release date: | 2015-08-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
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4YLK
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![BU of 4ylk by Molmil](/molmil-images/mine/4ylk) | Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | Descriptor: | 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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4ZHM
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4ZQT
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![BU of 4zqt by Molmil](/molmil-images/mine/4zqt) | Crystal structure of PfA-M1 with virtual ligand inhibitor | Descriptor: | (2R)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Ruggeri, C, Drinkwater, N, McGowan, S. | Deposit date: | 2015-05-11 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening. Plos One, 10, 2015
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