4MNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mnv by Molmil](/molmil-images/mine/4mnv) | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4CIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cip by Molmil](/molmil-images/mine/4cip) | Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced using ascorbate | Descriptor: | ASCORBIC ACID, CYTOCHROME C', HEME C, ... | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-12-13 | Release date: | 2014-05-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
|
|
8QBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qbn by Molmil](/molmil-images/mine/8qbn) | |
2Y43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y43 by Molmil](/molmil-images/mine/2y43) | |
1P2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p2h by Molmil](/molmil-images/mine/1p2h) | H61M mutant of flavocytochrome c3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALATE LIKE INTERMEDIATE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rothery, E.L, Mowat, C.G, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2003-04-15 | Release date: | 2003-11-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Histidine 61: An Important Heme Ligand in the Soluble Fumarate Reductase from Shewanella
frigidimarina Biochemistry, 42, 2003
|
|
1N5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n5z by Molmil](/molmil-images/mine/1n5z) | Complex structure of Pex13p SH3 domain with a peptide of Pex14p | Descriptor: | 14-mer peptide from Peroxisomal membrane protein PEX14, Peroxisomal membrane protein PAS20 | Authors: | Douangamath, A, Filipp, F.V, Klein, A.T.J, Barnett, P, Zou, P, Voorn-Brouwer, T, Vega, M.C, Mayans, O.M, Sattler, M, Distel, B, Wilmanns, M. | Deposit date: | 2002-11-08 | Release date: | 2002-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Topography for Independent Binding of alpha-Helical and PPII-Helical Ligands to a Peroxisomal SH3 Domain MOL.CELL, 10, 2002
|
|
2D8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2d8t by Molmil](/molmil-images/mine/2d8t) | Solution structure of the RING domain of the human RING finger protein 146 | Descriptor: | RING finger protein 146, ZINC ION | Authors: | Miyamoto, K, Kigawa, T, Sato, M, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-12-08 | Release date: | 2006-06-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the RING domain of the human RING finger protein 146 To be Published
|
|
4MNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mnw by Molmil](/molmil-images/mine/4mnw) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK749 | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4CDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cda by Molmil](/molmil-images/mine/4cda) | Spectroscopically-validated structure of ferric cytochrome c prime from Alcaligenes xylosoxidans | Descriptor: | CYTOCHROME C', HEME C, SULFATE ION | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-10-30 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
|
|
1Z2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z2k by Molmil](/molmil-images/mine/1z2k) | NMR structure of the D1 domain of the Natural Killer Cell Receptor, 2B4 | Descriptor: | Natural killer cell receptor 2B4 | Authors: | Ames, J.B, Vyas, V, Lusin, J.D, Mariuzza, R. | Deposit date: | 2005-03-08 | Release date: | 2005-05-03 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | NMR Structure of the Natural Killer Cell Receptor 2B4:
Implications for Ligand Recognition Biochemistry, 44, 2005
|
|
5HU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hu6 by Molmil](/molmil-images/mine/5hu6) | |
4MNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mny by Molmil](/molmil-images/mine/4mny) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903 | Descriptor: | ACETATE ION, GLYCEROL, N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide), ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
2Q7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q7z by Molmil](/molmil-images/mine/2q7z) | Solution Structure of the 30 SCR domains of human Complement Receptor 1 | Descriptor: | Complement receptor type 1 | Authors: | Furtado, P.B, Huang, C.Y, Ihyembe, D, Hammond, R.A, Marsh, H.C, Perkins, S.J. | Deposit date: | 2007-06-08 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | SOLUTION SCATTERING | Cite: | The Partly Folded Back Solution Structure Arrangement of the 30 SCR Domains in Human Complement Receptor Type 1 (CR1) Permits Access to its C3b and C4b Ligands J.Mol.Biol., 375, 2008
|
|
4Q0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q0a by Molmil](/molmil-images/mine/4q0a) | Vitamin D Receptor complex with lithocholic acid | Descriptor: | (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Belorusova, A, Rochel, N. | Deposit date: | 2014-04-01 | Release date: | 2014-07-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the molecular mechanism of vitamin d receptor activation by lithocholic Acid involving a new mode of ligand recognition. J.Med.Chem., 57, 2014
|
|
4MNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mnx by Molmil](/molmil-images/mine/4mnx) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811 | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
2H28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h28 by Molmil](/molmil-images/mine/2h28) | Crystal structure of YeeU from E. coli. Northeast Structural Genomics target ER304 | Descriptor: | CHLORIDE ION, GLYCEROL, Hypothetical protein yeeU, ... | Authors: | Arbing, M, Su, M, Benach, J, Karpowich, N.K, Jiang, M, Xiao, R, Cunningham, K, Ma, L.-C, Chen, C.X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-05-18 | Release date: | 2006-07-18 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems. Structure, 18, 2010
|
|
4E9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e9d by Molmil](/molmil-images/mine/4e9d) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide | Descriptor: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | Authors: | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | Deposit date: | 2012-03-21 | Release date: | 2012-10-10 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | High-throughput interrogation of ligand binding mode using a fluorescence-based assay. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
1P2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p2e by Molmil](/molmil-images/mine/1p2e) | H61A mutant of flavocytochrome c3 | Descriptor: | ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, ... | Authors: | Rothery, E.L, Mowat, C.G, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2003-04-15 | Release date: | 2003-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Histidine 61: An Important Heme Ligand in the Soluble Fumarate Reductase from Shewanella frigidimarina Biochemistry, 42, 2003
|
|
3B6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b6h by Molmil](/molmil-images/mine/3b6h) | Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil | Descriptor: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ... | Authors: | Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L. | Deposit date: | 2007-10-29 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change J.Biol.Chem., 283, 2008
|
|
1KJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kjr by Molmil](/molmil-images/mine/1kjr) | Crystal Structure of the human galectin-3 CRD in complex with a 3'-derivative of N-Acetyllactosamine | Descriptor: | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE, CHLORIDE ION, Galectin-3, ... | Authors: | Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J. | Deposit date: | 2001-12-05 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction. J.Am.Chem.Soc., 127, 2005
|
|
2DJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2djq by Molmil](/molmil-images/mine/2djq) | The solution structure of the first SH3 domain of mouse SH3 domain containing ring finger 2 | Descriptor: | SH3 domain containing ring finger 2 | Authors: | Sasagawa, A, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-05 | Release date: | 2006-10-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The solution structure of the first SH3 domain of mouse SH3 domain containing ring finger 2 To be Published
|
|
2PEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pev by Molmil](/molmil-images/mine/2pev) | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds 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: | 2007-04-03 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
|
|
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
|
|
5A15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a15 by Molmil](/molmil-images/mine/5a15) | Crystal structure of the BTB domain of human KCTD16 | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16 | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-04-28 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
|
|
4EH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eh8 by Molmil](/molmil-images/mine/4eh8) | Human p38 MAP kinase in complex with NP-F7 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
|
|