5A7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a7q by Molmil](/molmil-images/mine/5a7q) | Crystal structure of human JMJD2A in complex with compound 30 | Descriptor: | 1,2-ETHANEDIOL, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Dixon-Clarke, S, MacKenzie, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-09 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
|
|
4FOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fol by Molmil](/molmil-images/mine/4fol) | S-formylglutathione hydrolase Variant H160I | Descriptor: | S-formylglutathione hydrolase | Authors: | Legler, P.M, Millard, C.B. | Deposit date: | 2012-06-20 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | A role for His-160 in peroxide inhibition of S. cerevisiae S-formylglutathione hydrolase: Evidence for an oxidation sensitive motif. Arch.Biochem.Biophys., 528, 2012
|
|
7RB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rb0 by Molmil](/molmil-images/mine/7rb0) | Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 7.5 | Descriptor: | Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G. | Deposit date: | 2021-07-05 | Release date: | 2021-07-14 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
|
|
3B2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b2t by Molmil](/molmil-images/mine/3b2t) | Structure of phosphotransferase | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine, Fibroblast growth factor receptor 2, PHOSPHATE ION | Authors: | Lew, E.D, Bae, J.H, Rohmann, E, Wollnik, B, Schlessinger, J. | Deposit date: | 2007-10-19 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for reduced FGFR2 activity in LADD syndrome: Implications for FGFR autoinhibition and activation. Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2VV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vv3 by Molmil](/molmil-images/mine/2vv3) | hPPARgamma Ligand binding domain in complex with 4-oxoDHA | Descriptor: | (6E,10Z,13Z,16Z,19Z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | Deposit date: | 2008-06-02 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Basis for the Activation of Ppargamma by Oxidized Fatty Acids. Nat.Struct.Mol.Biol., 15, 2008
|
|
8WUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wux by Molmil](/molmil-images/mine/8wux) | Cryo-EM structure of H. thermophilus GroEL-GroES bullet complex | Descriptor: | Chaperonin GroEL, Co-chaperonin GroES, MAGNESIUM ION, ... | Authors: | Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S. | Deposit date: | 2023-10-21 | Release date: | 2024-03-27 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into thermophilic chaperonin complexes. Structure, 32, 2024
|
|
5H0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h0t by Molmil](/molmil-images/mine/5h0t) | Crystal structure of proliferating cell nuclear antigen from Leishmania donovani at 2.73 Angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, Proliferating cell nuclear antigen | Authors: | Singh, P.K, Yadav, S.P, Sharma, P.S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-10-06 | Release date: | 2016-11-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure and binding studies of proliferating cell nuclear antigen from Leishmania donovani. Biochim. Biophys. Acta, 1865, 2017
|
|
5H1P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h1p by Molmil](/molmil-images/mine/5h1p) | CRISPR-associated protein | Descriptor: | ACETATE ION, CRISPR-associated endoribonuclease Cas2 | Authors: | Ka, D, Jeong, U, Bae, E. | Deposit date: | 2016-10-11 | Release date: | 2017-10-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and dynamic insights into the role of conformational switching in the nuclease activity of the Xanthomonas albilineans Cas2 in CRISPR-mediated adaptive immunity Struct Dyn, 4, 2017
|
|
7REC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rec by Molmil](/molmil-images/mine/7rec) | Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC | Descriptor: | 5-hydroxydiclofenac, Calcium/calmodulin-dependent protein kinase type II subunit alpha, SODIUM ION | Authors: | McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J. | Deposit date: | 2021-07-12 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | GHB analogs confer neuroprotection through specific interaction with the CaMKII alpha hub domain. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
2E01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e01 by Molmil](/molmil-images/mine/2e01) | |
3FRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3frz by Molmil](/molmil-images/mine/3frz) | Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554 | Descriptor: | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, BETA-MERCAPTOETHANOL, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ... | Authors: | Parge, H.E. | Deposit date: | 2009-01-08 | Release date: | 2009-03-10 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor. J.Med.Chem., 52, 2009
|
|
7JVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jvk by Molmil](/molmil-images/mine/7jvk) | |
3B3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b3m by Molmil](/molmil-images/mine/3b3m) | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol | Descriptor: | 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
|
|
4LA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4la7 by Molmil](/molmil-images/mine/4la7) | X-ray crystal structure of the PYL2-quinabactin-Hab1 ternary complex | Descriptor: | ACETATE ION, Abscisic acid receptor PYL2, GLYCEROL, ... | Authors: | Peterson, F.C, Volkman, B.F, Cutler, S.R. | Deposit date: | 2013-06-19 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Activation of dimeric ABA receptors elicits guard cell closure, ABA-regulated gene expression, and drought tolerance. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
5H2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h2p by Molmil](/molmil-images/mine/5h2p) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 657 us after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
|
|
5H2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h2h by Molmil](/molmil-images/mine/5h2h) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 40 ns after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
|
|
5AKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5akg by Molmil](/molmil-images/mine/5akg) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-(2-thienyl)-1,3,4-thiadiazol-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
|
|
2W0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w0j by Molmil](/molmil-images/mine/2w0j) | Crystal structure of Chk2 in complex with NSC 109555, a specific inhibitor | Descriptor: | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE), NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Tropea, J.E, Zhang, D, Jobson, A.G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | Deposit date: | 2008-08-18 | Release date: | 2009-02-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of Checkpoint Kinase 2 in Complex with Nsc 109555, a Potent and Selective Inhibitor Protein Sci., 18, 2009
|
|
5ACK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ack by Molmil](/molmil-images/mine/5ack) | Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket | Descriptor: | 1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Kroon, E, Doemling, A, Biondi, R.M. | Deposit date: | 2015-08-17 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
3G4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g4t by Molmil](/molmil-images/mine/3g4t) | Mth0212 (WT) in complex with a 7bp dsDNA | Descriptor: | 5'-D(*CP*G*TP*AP*CP*TP*AP*CP*G)-3', 5'-D(*CP*GP*TP*AP*(UPS)P*TP*AP*CP*G)-3', Exodeoxyribonuclease, ... | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | Deposit date: | 2009-02-04 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA J.Mol.Biol., 399, 2010
|
|
5AKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5akx by Molmil](/molmil-images/mine/5akx) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-iodanyl-1H-indazole, DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
|
|
7JPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jpy by Molmil](/molmil-images/mine/7jpy) | |
5ALG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5alg by Molmil](/molmil-images/mine/5alg) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
|
|
3B62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b62 by Molmil](/molmil-images/mine/3b62) | |
5AKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5akj by Molmil](/molmil-images/mine/5akj) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
|
|