6EQU
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![BU of 6equ by Molmil](/molmil-images/mine/6equ) | X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor | Descriptor: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2017-10-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor. J Enzyme Inhib Med Chem, 33, 2018
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3LGR
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![BU of 3lgr by Molmil](/molmil-images/mine/3lgr) | Xylanase II from Trichoderma reesei cocrystallized with tris-dipicolinate europium | Descriptor: | EUROPIUM ION, Endo-1,4-beta-xylanase 2, PYRIDINE-2,6-DICARBOXYLIC ACID | Authors: | Pompidor, G, Kahn, R, Maury, O. | Deposit date: | 2010-01-21 | Release date: | 2011-01-19 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A dipicolinate lanthanide complex for solving protein structures using anomalous diffraction. Acta Crystallogr.,Sect.D, 66, 2010
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3OOD
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![BU of 3ood by Molmil](/molmil-images/mine/3ood) | Structure of OpdA Y257F mutant soaked with diethyl 4-methoxyphenyl phosphate for 20 hours. | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase | Authors: | Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G. | Deposit date: | 2010-08-31 | Release date: | 2011-11-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis. Biochem.J., 432, 2010
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1AT5
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![BU of 1at5 by Molmil](/molmil-images/mine/1at5) | HEN EGG WHITE LYSOZYME WITH A SUCCINIMIDE RESIDUE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LYSOZYME, ... | Authors: | Noguchi, S, Miyawaki, K, Satow, Y. | Deposit date: | 1997-08-18 | Release date: | 1998-02-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Succinimide and isoaspartate residues in the crystal structures of hen egg-white lysozyme complexed with tri-N-acetylchitotriose. J.Mol.Biol., 278, 1998
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1N3W
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![BU of 1n3w by Molmil](/molmil-images/mine/1n3w) | Engineered High-Affinity Maltose-Binding Protein | Descriptor: | Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Telmer, P.G, Shilton, B.H. | Deposit date: | 2002-10-29 | Release date: | 2003-08-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into the Conformational Equilibria of Maltose-binding Protein by Analysis of High Affinity Mutants. J.Biol.Chem., 278, 2003
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4WT2
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![BU of 4wt2 by Molmil](/molmil-images/mine/4wt2) | Co-crystal Structure of MDM2 in Complex with AM-7209 | Descriptor: | 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-10-30 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction. J.Med.Chem., 57, 2014
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2X3T
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![BU of 2x3t by Molmil](/molmil-images/mine/2x3t) | Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide | Descriptor: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ... | Authors: | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | Deposit date: | 2010-01-26 | Release date: | 2010-06-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.749 Å) | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
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7JKR
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![BU of 7jkr by Molmil](/molmil-images/mine/7jkr) | GTP-specific succinyl-CoA synthetase complexed with Mg-GMPPNP, phosphohistidine loop pointing towards nucleotide binding site | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2020-07-28 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Second distinct conformation of the phosphohistidine loop in succinyl-CoA synthetase Acta Crystallogr.,Sect.D, 77, 2021
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2BBF
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![BU of 2bbf by Molmil](/molmil-images/mine/2bbf) | Crystal structure of tRNA-guanine transglycosylase (TGT) from Zymomonas mobilis in complex with 6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, ZINC ION, tRNA guanine transglycosylase | Authors: | Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G. | Deposit date: | 2005-10-17 | Release date: | 2007-04-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding. J.Mol.Biol., 370, 2007
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4AUQ
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![BU of 4auq by Molmil](/molmil-images/mine/4auq) | Structure of BIRC7-UbcH5b-Ub complex. | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ... | Authors: | Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T. | Deposit date: | 2012-05-21 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.176 Å) | Cite: | Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer. Nat.Struct.Mol.Biol., 19, 2012
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6EVV
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![BU of 6evv by Molmil](/molmil-images/mine/6evv) | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions. | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Troisi, R, Russo Krauss, I, Sica, F. | Deposit date: | 2017-11-02 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer. Nucleic Acids Res., 46, 2018
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7AXZ
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![BU of 7axz by Molmil](/molmil-images/mine/7axz) | Ku70/80 complex apo form | Descriptor: | X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6 | Authors: | Hnizda, A, Tesina, P, Novak, P, Blundell, T.L. | Deposit date: | 2020-11-10 | Release date: | 2021-02-10 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | SAP domain forms a flexible part of DNA aperture in Ku70/80. Febs J., 288, 2021
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8JXZ
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![BU of 8jxz by Molmil](/molmil-images/mine/8jxz) | Chitin binding SusD-like protein AqSusD in complex with (GlcNAc)3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SusD-like protein AqSusD | Authors: | Yang, J. | Deposit date: | 2023-07-01 | Release date: | 2023-11-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition. Febs J., 291, 2024
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8DVE
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![BU of 8dve by Molmil](/molmil-images/mine/8dve) | |
6BE1
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![BU of 6be1 by Molmil](/molmil-images/mine/6be1) | Cryo-EM structure of serotonin receptor | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Basak, S, Chakrapani, S. | Deposit date: | 2017-10-24 | Release date: | 2018-02-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | Cryo-EM structure of 5-HT Nat Commun, 9, 2018
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1P0B
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![BU of 1p0b by Molmil](/molmil-images/mine/1p0b) | Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0 | Descriptor: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2003-04-10 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase
and their implications for substrate selectivity, reaction mechanism and structure-based drug design Chembiochem, 4, 2003
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1J3F
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![BU of 1j3f by Molmil](/molmil-images/mine/1j3f) | Crystal Structure of an Artificial Metalloprotein:Cr(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin | Descriptor: | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', CHROMIUM ION, Myoglobin, ... | Authors: | Koshiyama, T, Kono, M, Ohashi, M, Ueno, T, Suzuki, A, Yamane, T, Watanabe, Y. | Deposit date: | 2003-01-24 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Coordinated Design of Cofactor and Active Site Structures in Development of New Protein Catalysts J.Am.Chem.Soc., 127, 2005
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1P0E
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![BU of 1p0e by Molmil](/molmil-images/mine/1p0e) | CRYSTAL STRUCTURE OF ZYMOMONAS MOBILIS tRNA-GUANINE TRANSGLYCOSYLASE (TGT) COCRYSTALLISED WITH PREQ1 AT PH 5.5 | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2003-04-10 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase
and their implications for substrate selectivity, reaction mechanism and structure-based drug design Chembiochem, 4, 2003
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7B1Z
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![BU of 7b1z by Molmil](/molmil-images/mine/7b1z) | |
1OZQ
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![BU of 1ozq by Molmil](/molmil-images/mine/1ozq) | CRYSTAL STRUCTURE OF THE MUTATED TRNA-GUANINE TRANSGLYCOSYLASE (TGT)Y106F COMPLEXED WITH PREQ1 | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2003-04-09 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase
and their implications for substrate selectivity, reaction mechanism and structure-based drug design Chembiochem, 4, 2003
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7B5W
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1OZM
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![BU of 1ozm by Molmil](/molmil-images/mine/1ozm) | Y106F mutant of Z. mobilis TGT | Descriptor: | Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2003-04-09 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Flexible adaptations in the structure of the tRNA-modifying enzyme
tRNA-guanine transglycosylase and their implications for substrate selectivity,
reaction mechanism and structure-based drug design Chembiochem, 4, 2003
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3USN
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![BU of 3usn by Molmil](/molmil-images/mine/3usn) | STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE THIADIAZOLE INHIBITOR IPNU-107859, NMR, 1 STRUCTURE | Descriptor: | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE, CALCIUM ION, STROMELYSIN-1, ... | Authors: | Stockman, B.J. | Deposit date: | 1998-06-18 | Release date: | 1999-01-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of stromelysin complexed to thiadiazole inhibitors. Protein Sci., 7, 1998
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3GN1
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![BU of 3gn1 by Molmil](/molmil-images/mine/3gn1) | Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116) | Descriptor: | 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | Deposit date: | 2009-03-16 | Release date: | 2009-12-29 | Last modified: | 2011-09-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52, 2009
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4YX4
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![BU of 4yx4 by Molmil](/molmil-images/mine/4yx4) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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