2B29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b29 by Molmil](/molmil-images/mine/2b29) | N-terminal domain of the RPA70 subunit of human replication protein A. | Descriptor: | Replication protein A 70 kDa DNA-binding subunit | Authors: | Bochkareva, E, Kaustov, L, Ayed, A, Okorokov, A, Milner, J, Arrowsmith, C.H, Bochkarev, A. | Deposit date: | 2005-09-18 | Release date: | 2005-10-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Single-stranded DNA mimicry in the p53 transactivation domain interaction with replication protein A. Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
3ODF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3odf by Molmil](/molmil-images/mine/3odf) | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. Second step of radiation damage | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | Deposit date: | 2010-08-11 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
|
|
2PFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pfh by Molmil](/molmil-images/mine/2pfh) | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | Deposit date: | 2007-04-05 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
|
|
3L3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l3j by Molmil](/molmil-images/mine/3l3j) | Crystal structure of HLA-B*4402 in complex with the F3A/R5A double mutant of a self-peptide derived from DPA*0201 | Descriptor: | ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | Deposit date: | 2009-12-17 | Release date: | 2010-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3KRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3krq by Molmil](/molmil-images/mine/3krq) | Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-AMINO-1,2,4-TRIAZOLE, ... | Authors: | Singh, A.K, Singh, N, Sinha, M, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2009-11-19 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases J.Biol.Inorg.Chem., 15, 2010
|
|
3L3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l3d by Molmil](/molmil-images/mine/3l3d) | Crystal structure of HLA-B*4402 in complex with the F3A mutant of a self-peptide derived from DPA*0201 | Descriptor: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | Deposit date: | 2009-12-16 | Release date: | 2010-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3KXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kxo by Molmil](/molmil-images/mine/3kxo) | An orally active inhibitor bound at the active site of HPGDS | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | Deposit date: | 2009-12-03 | Release date: | 2010-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase TO BE PUBLISHED
|
|
1LJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ljp by Molmil](/molmil-images/mine/1ljp) | Crystal Structure of beta-Cinnamomin Elicitin | Descriptor: | Beta-elicitin cinnamomin | Authors: | Rodrigues, M.L, Archer, M, Martel, P, Jacquet, A, Cravador, A, Carrondo, M.A. | Deposit date: | 2002-04-22 | Release date: | 2002-07-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of beta-cinnamomin, a protein toxic to some plant species. Acta Crystallogr.,Sect.D, 58, 2002
|
|
4IGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4igs by Molmil](/molmil-images/mine/4igs) | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2012-12-18 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design. Acta Crystallogr.,Sect.D, 70, 2014
|
|
3L3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l3k by Molmil](/molmil-images/mine/3l3k) | Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201 | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | Deposit date: | 2009-12-17 | Release date: | 2010-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
1GVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gvh by Molmil](/molmil-images/mine/1gvh) | The X-ray structure of ferric Escherichia coli flavohemoglobin reveals an unespected geometry of the distal heme pocket | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, FLAVOHEMOPROTEIN, ... | Authors: | Ilari, A, Johnson, K.A, Bonamore, A, Farina, A, Boffi, A. | Deposit date: | 2002-02-13 | Release date: | 2002-08-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The X-Ray Structure of Ferric Escherichia Coli Flavohemoglobin Reveals an Unexpected Geometry of the Distal Heme Pocket J.Biol.Chem., 277, 2002
|
|
2AQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqw by Molmil](/molmil-images/mine/2aqw) | Structure of putative orotidine-monophosphate-decarboxylase from Plasmodium yoelii (PY01515) | Descriptor: | IODIDE ION, SULFATE ION, putative orotidine-monophosphate-decarboxylase | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-18 | Release date: | 2005-08-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
|
|
2PF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pf8 by Molmil](/molmil-images/mine/2pf8) | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | Deposit date: | 2007-04-04 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
|
|
4INK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ink by Molmil](/molmil-images/mine/4ink) | Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution | Descriptor: | Serine protease SplD | Authors: | Zdzalik, M, Kalinska, M, Cichon, P, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
|
|
2AV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2av4 by Molmil](/molmil-images/mine/2av4) | Crystal structure of Plasmodium yoelii thioredoxin-like protein 4A (DIM1) | Descriptor: | CHLORIDE ION, Thioredoxin-like protein 4A (DIM1) | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-29 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
|
|
6GGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ggg by Molmil](/molmil-images/mine/6ggg) | Mineralocorticoid receptor in complex with (s)-13 | Descriptor: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | Deposit date: | 2018-05-03 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
|
|
2AIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aif by Molmil](/molmil-images/mine/2aif) | Crystal Structure of High Mobility Like Protein, NHP2, putative from Cryptosporidium parvum | Descriptor: | ribosomal protein L7A | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Artz, J, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-29 | Release date: | 2005-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
|
|
3N3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n3k by Molmil](/molmil-images/mine/3n3k) | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-20 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
|
|
1UYL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uyl by Molmil](/molmil-images/mine/1uyl) | Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
|
|
1HL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hl3 by Molmil](/molmil-images/mine/1hl3) | CtBP/BARS in ternary complex with NAD(H) and PIDLSKK peptide | Descriptor: | C-TERMINAL BINDING PROTEIN 3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PRO-ILE-ASP-LEU-SER-LYS-LYS PEPTIDE | Authors: | Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M. | Deposit date: | 2003-03-13 | Release date: | 2003-06-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission Embo J., 22, 2003
|
|
1UY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uy6 by Molmil](/molmil-images/mine/1uy6) | Human Hsp90-alpha with 9-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine | Descriptor: | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
|
|
4BBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bba by Molmil](/molmil-images/mine/4bba) | Crystal structure of glucokinase regulatory protein complexed to phosphate | Descriptor: | GLUCOKINASE REGULATORY PROTEIN, PHOSPHATE ION | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinhart, D, Heckel, A, Schnapp, G, Kauschke, S.G. | Deposit date: | 2012-09-21 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of Glucokinase Regulatory Protein. Biochemistry, 52, 2013
|
|
4NB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nb7 by Molmil](/molmil-images/mine/4nb7) | Crystal Structure of Two-Domain Laccase from Streptomyces LIvidans AC1709 in complex with azide after 180 min soaking | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, AZIDE ION, ... | Authors: | Gabdulkhakov, A, Tischenko, S, Yurevich, L, Lisov, A, Leontievsky, A. | Deposit date: | 2013-10-23 | Release date: | 2014-10-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of Two-Domain Laccase from Streptomyces Lividans AC1709 in complex with azide after 180 min soaking To be Published
|
|
3C10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3c10 by Molmil](/molmil-images/mine/3c10) | Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA) | Descriptor: | Histone deacetylase 7a, POTASSIUM ION, TRICHOSTATIN A, ... | Authors: | Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-21 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity. J.Biol.Chem., 283, 2008
|
|
4FIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fiv by Molmil](/molmil-images/mine/4fiv) | FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 | Descriptor: | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE | Authors: | Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | Deposit date: | 1998-07-15 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV. Protein Sci., 7, 1998
|
|