1M6F
| Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove | Descriptor: | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Nguyen, B, Lee, M.P.H, Hamelberg, D, Joubert, A, Bailly, C, Brun, R, Neidle, S, Wilson, W.D. | Deposit date: | 2002-07-16 | Release date: | 2002-11-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove J.Am.Chem.Soc., 124, 2002
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1M9A
| Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with S-hexylglutathione | Descriptor: | Glutathione S-Transferase 26 kDa, S-HEXYLGLUTATHIONE | Authors: | Cardoso, R.M.F, Daniels, D.S, Bruns, C.M, Tainer, J.A. | Deposit date: | 2002-07-28 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the electrophile
binding site and substrate binding
mode of the 26-kDa glutathione
S-transferase from Schistosoma
japonicum PROTEINS: STRUCT.,FUNCT.,GENET., 51, 2003
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1MDP
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1N9Z
| INTEGRIN ALPHA M I DOMAIN MUTANT | Descriptor: | Integrin alpha-M, MAGNESIUM ION | Authors: | McCleverty, C.J, Liddington, R.C. | Deposit date: | 2002-11-26 | Release date: | 2003-05-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineered allosteric mutants of the integrin alphaMbeta2 I domain: structural and functional studies Biochem.J., 372, 2003
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7BC2
| BAZ2A bromodomain in complex with triazole compound MS04-TN04 | Descriptor: | 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-18 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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2GNW
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4WZ3
| Crystal structure of the complex between LubX/LegU2/Lpp2887 U-box 1 and Homo sapiens UBE2D2 | Descriptor: | E3 ubiquitin-protein ligase LubX, Ubiquitin-conjugating enzyme E2 D2 | Authors: | Stogios, P.J, Quaile, A.T, Skarina, T, Nocek, B, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-18 | Release date: | 2015-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular Characterization of LubX: Functional Divergence of the U-Box Fold by Legionella pneumophila. Structure, 23, 2015
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1M35
| Aminopeptidase P from Escherichia coli | Descriptor: | AMINOPEPTIDASE P, MANGANESE (II) ION | Authors: | Graham, S.C, Lee, M, Freeman, H.C, Guss, J.M. | Deposit date: | 2002-06-27 | Release date: | 2003-05-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An orthorhombic form of Escherichia coli aminopeptidase P at 2.4 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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1M4U
| Crystal structure of Bone Morphogenetic Protein-7 (BMP-7) in complex with the secreted antagonist Noggin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone Morphogenetic Protein-7, Noggin | Authors: | Groppe, J, Greenwald, J, Wiater, E, Rodriguez-Leon, J, Economides, A.N, Kwiatkowski, W, Affolter, M, Vale, W.W, Izpisua-Belmonte, J.C, Choe, S. | Deposit date: | 2002-07-03 | Release date: | 2002-12-18 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural Basis of BMP Signalling Inhibition by the Cystine Knot Protein Noggin Nature, 420, 2002
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6ORU
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6UG0
| N2-bound Nitrogenase MoFe-protein from Azotobacter vinelandii | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Kang, W, Hu, Y, Ribbe, M.W. | Deposit date: | 2019-09-25 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase. Science, 368, 2020
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1I7Z
| ANTIBODY GNC92H2 BOUND TO LIGAND | Descriptor: | CHIMERA OF IG GAMMA-1 CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, COCAINE | Authors: | Larsen, N.A, Wilson, I.A. | Deposit date: | 2001-03-12 | Release date: | 2001-08-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a cocaine-binding antibody. J.Mol.Biol., 311, 2001
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3SP6
| Structural basis for iloprost as a dual PPARalpha/delta agonist | Descriptor: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-beta | Authors: | Rong, H, Li, Y. | Deposit date: | 2011-07-01 | Release date: | 2011-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J.Biol.Chem., 286, 2011
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3KQ0
| Crystal structure of human alpha1-acid glycoprotein | Descriptor: | (2R)-2,3-dihydroxypropyl acetate, Alpha-1-acid glycoprotein 1, CHLORIDE ION | Authors: | Schiefner, A, Schonfeld, D.L, Ravelli, R.B.G, Mueller, U, Skerra, A. | Deposit date: | 2009-11-17 | Release date: | 2010-02-02 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The 1.8-A crystal structure of alpha1-acid glycoprotein (Orosomucoid) solved by UV RIP reveals the broad drug-binding activity of this human plasma lipocalin. J.Mol.Biol., 384, 2008
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6L7D
| Mycobacterium tuberculosis enolase mutant - S42A | Descriptor: | 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ... | Authors: | Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K. | Deposit date: | 2019-11-01 | Release date: | 2020-11-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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1IWE
| IMP Complex of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase | Descriptor: | ACETATE ION, Adenylosuccinate Synthetase, INOSINIC ACID, ... | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2002-05-04 | Release date: | 2002-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | IMP, GTP, and 6-phosphoryl-IMP complexes of recombinant mouse muscle adenylosuccinate synthetase. J.Biol.Chem., 277, 2002
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6WCV
| Tartryl-CoA bound to human GTP-specific succinyl-CoA synthetase | Descriptor: | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name), Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2020-03-31 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Tartryl-CoA inhibits succinyl-CoA synthetase Acta Crystallogr.,Sect.F, 76, 2020
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7QWF
| BAZ2A bromodomain in complex with acetylpyrrole derivative compound 45 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2022-01-25 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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2HV5
| Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking (3days_soaked_3) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-27 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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2HVN
| Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-29 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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2HVO
| Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-29 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions. J.Mol.Biol., 363, 2006
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1LNY
| Crystal structure of the recombinant mouse-muscle adenylosuccinate synthetase complexed with 6-phosphoryl-IMP, GDP and Mg | Descriptor: | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE, Adenylosuccinate Synthetase, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2002-05-04 | Release date: | 2002-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | IMP, GTP, and 6-phosphoryl-IMP complexes of recombinant mouse muscle adenylosuccinate synthetase. J.Biol.Chem., 277, 2002
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1MN0
| Crystal structure of galactose mutarotase from lactococcus lactis complexed with D-xylose | Descriptor: | Aldose 1-epimerase, NICKEL (II) ION, alpha-D-xylopyranose | Authors: | Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. | Deposit date: | 2002-09-04 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis. J.Biol.Chem., 277, 2002
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1MMY
| Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-quinovose | Descriptor: | Aldose 1-epimerase, SODIUM ION, alpha-D-quinovopyranose | Authors: | Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. | Deposit date: | 2002-09-04 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis. J.Biol.Chem., 277, 2002
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2F8K
| Sequence specific recognition of RNA hairpins by the SAM domain of Vts1 | Descriptor: | 5'-R(*UP*AP*AP*UP*CP*UP*UP*UP*GP*AP*CP*AP*GP*AP*UP*U)-3', Protein VTS1 | Authors: | Aviv, T, Lin, Z, Ben-Ari, G, Smibert, C.A, Sicheri, F. | Deposit date: | 2005-12-02 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sequence-specific recognition of RNA hairpins by the SAM domain of Vts1p. Nat.Struct.Mol.Biol., 13, 2006
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