2AL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2al5 by Molmil](/molmil-images/mine/2al5) | Crystal structure of the GluR2 ligand binding core (S1S2J) in complex with fluoro-willardiine and aniracetam | Descriptor: | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2 | Authors: | Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M. | Deposit date: | 2005-08-04 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mechanism of positive allosteric modulators acting on AMPA receptors. J.Neurosci., 25, 2005
|
|
2AXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2axt by Molmil](/molmil-images/mine/2axt) | Crystal Structure of Photosystem II from Thermosynechococcus elongatus | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Loll, B, Kern, J, Saenger, W, Zouni, A, Biesiadka, J. | Deposit date: | 2005-09-06 | Release date: | 2005-12-27 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Towards complete cofactor arrangement in the 3.0 A resolution structure of photosystem II NATURE, 438, 2005
|
|
2L63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l63 by Molmil](/molmil-images/mine/2l63) | |
2ZXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zxw by Molmil](/molmil-images/mine/2zxw) | Bovine heart cytochrome c oxidase at the fully oxidized state (1-s X-ray exposure dataset) | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Hirata, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S. | Deposit date: | 2009-01-08 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2JFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jfa by Molmil](/molmil-images/mine/2jfa) | ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH AN AFFINITY-SELECTED COREPRESSOR PEPTIDE | Descriptor: | COREPRESSOR PEPTIDE, ESTROGEN RECEPTOR, RALOXIFENE, ... | Authors: | Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W. | Deposit date: | 2007-01-29 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors. J.Biol.Chem., 282, 2007
|
|
3CSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3csi by Molmil](/molmil-images/mine/3csi) | |
3CHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3chp by Molmil](/molmil-images/mine/3chp) | Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | Descriptor: | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid, ACETATE ION, IMIDAZOLE, ... | Authors: | Thunnissen, M.M.G.M, Adler, M, Whitlow, M. | Deposit date: | 2008-03-10 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase. Bioorg.Med.Chem., 16, 2008
|
|
3CS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cs8 by Molmil](/molmil-images/mine/3cs8) | |
3CSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3csh by Molmil](/molmil-images/mine/3csh) | |
2JP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jp5 by Molmil](/molmil-images/mine/2jp5) | ATWLPPR an anti-angiogenic peptide | Descriptor: | ATWLPPR peptide | Authors: | Badache, S, Bouchemal, N.C, Herve du Penhoat, C.L.M. | Deposit date: | 2007-04-20 | Release date: | 2008-03-04 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of the antiangiogenic ATWLPPR peptide inhibiting VEGF(165) binding to neuropilin-1 and molecular dynamics simulations of the ATWLPPR/neuropilin-1 complex Peptides, 28, 2007
|
|
3CU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cu8 by Molmil](/molmil-images/mine/3cu8) | Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome | Descriptor: | 14-3-3 protein zeta/delta, MAGNESIUM ION, PROPANOIC ACID, ... | Authors: | Schumacher, B, Weyand, M, Kuhlmann, J, Ottmann, C. | Deposit date: | 2008-04-16 | Release date: | 2009-05-05 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling. Mol. Cell. Biol., 30, 2010
|
|
2AL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2al4 by Molmil](/molmil-images/mine/2al4) | CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH quisqualate and CX614. | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE, Glutamate receptor 2, ... | Authors: | Jin, R, Clark, S, Weeks, A.M, Dudman, J.T, Gouaux, E, Partin, K.M. | Deposit date: | 2005-08-04 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of positive allosteric modulators acting on AMPA receptors. J.Neurosci., 25, 2005
|
|
3D29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d29 by Molmil](/molmil-images/mine/3d29) | Proteasome Inhibition by Fellutamide B | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, PRE10 isoform 1, ... | Authors: | Groll, M, Hines, J, Fahnestock, M, Crews, M.C. | Deposit date: | 2008-05-07 | Release date: | 2008-06-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Proteasome Inhibition by Fellutamide B Induces Nerve Growth Factor Synthesis Chem.Biol., 15, 2008
|
|
3CEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cek by Molmil](/molmil-images/mine/3cek) | Crystal structure of human dual specificity protein kinase (TTK) | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Roos, A, Pilka, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat.Chem.Biol., 6, 2010
|
|
3CSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3csu by Molmil](/molmil-images/mine/3csu) | CATALYTIC TRIMER OF ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE | Descriptor: | CALCIUM ION, PROTEIN (ASPARTATE CARBAMOYLTRANSFERASE) | Authors: | Beernink, P.T, Endrizzi, J.A, Alber, T, Schachman, H.K. | Deposit date: | 1999-04-22 | Release date: | 1999-05-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Assessment of the allosteric mechanism of aspartate transcarbamoylase based on the crystalline structure of the unregulated catalytic subunit. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
2JF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jf9 by Molmil](/molmil-images/mine/2jf9) | ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYTAMOXIFEN, AB5 PEPTIDE, ... | Authors: | Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W. | Deposit date: | 2007-01-29 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors. J.Biol.Chem., 282, 2007
|
|
3D6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d6c by Molmil](/molmil-images/mine/3d6c) | Crystal structure of Staphylococcal nuclease variant PHS L38E at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Harms, M.J, Schlessman, J.L, Sue, G.R, Garcia-Moreno, E.B. | Deposit date: | 2008-05-19 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The pK(a) values of acidic and basic residues buried at the same internal location in a protein are governed by different factors. J.Mol.Biol., 389, 2009
|
|
2JSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jsh by Molmil](/molmil-images/mine/2jsh) | obestatin NMR structure in SDS/DPC micellar solution | Descriptor: | Appetite-regulating hormone, Obestatin | Authors: | D'Ursi, A.M, Scrima, M, Esposito, C, Campiglia, P. | Deposit date: | 2007-07-05 | Release date: | 2008-10-21 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Obestatin conformational features: a strategy to unveil obestatin's biological role? Biochem.Biophys.Res.Commun., 363, 2007
|
|
2LK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lk0 by Molmil](/molmil-images/mine/2lk0) | |
2LHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lha by Molmil](/molmil-images/mine/2lha) | Solution structure of C2B with IP6 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-1 | Authors: | Joung, M, Mohan, S.K, Yu, C. | Deposit date: | 2011-08-08 | Release date: | 2012-05-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Molecular Level Interaction of Inositol Hexaphosphate with the C2B Domain of Human Synaptotagmin I Biochemistry, 2012
|
|
5A3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a3u by Molmil](/molmil-images/mine/5a3u) | HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | Descriptor: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION | Authors: | Chowdhury, R, Gomez-Perez, V, Schofield, C.J. | Deposit date: | 2015-06-03 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain. Plos One, 10, 2015
|
|
4WX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wx7 by Molmil](/molmil-images/mine/4wx7) | Crystal structure of adenovirus 8 protease with a nitrile inhibitor | Descriptor: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
|
|
2LZG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lzg by Molmil](/molmil-images/mine/2lzg) | NMR Structure of Mdm2 (6-125) with Pip-1 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L. | Deposit date: | 2012-10-02 | Release date: | 2012-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors. J.Am.Chem.Soc., 134, 2012
|
|
4WYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wyi by Molmil](/molmil-images/mine/4wyi) | |
5AGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5agr by Molmil](/molmil-images/mine/5agr) | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | Deposit date: | 2015-02-03 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
|
|