3DCT
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![BU of 3dct by Molmil](/molmil-images/mine/3dct) | FXR with SRC1 and GW4064 | Descriptor: | 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1 | Authors: | Williams, S.P, Madauss, K.P. | Deposit date: | 2008-06-04 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg.Med.Chem.Lett., 18, 2008
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3DE6
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3DCY
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4QKR
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3WYM
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![BU of 3wym by Molmil](/molmil-images/mine/3wym) | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | Descriptor: | 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Hayano, Y. | Deposit date: | 2014-09-01 | Release date: | 2014-11-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor. J.Med.Chem., 57, 2014
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3DH3
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![BU of 3dh3 by Molmil](/molmil-images/mine/3dh3) | Crystal Structure of RluF in complex with a 22 nucleotide RNA substrate | Descriptor: | Ribosomal large subunit pseudouridine synthase F, stem loop fragment of E. Coli 23S RNA | Authors: | Alian, A, DeGiovanni, A, Stroud, R.M, Finer-Moore, J.S. | Deposit date: | 2008-06-16 | Release date: | 2009-04-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of an RluF-RNA complex: a base-pair rearrangement is the key to selectivity of RluF for U2604 of the ribosome. J.Mol.Biol., 388, 2009
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3DHH
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![BU of 3dhh by Molmil](/molmil-images/mine/3dhh) | Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-BROMOPHENOL, CHLORIDE ION, ... | Authors: | Bailey, L.J, Mccoy, J.G, Phillips Jr, G.N, Fox, B.G. | Deposit date: | 2008-06-17 | Release date: | 2008-12-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural consequences of effector protein complex formation in a diiron hydroxylase. Proc.Natl.Acad.Sci.USA, 105, 2008
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3D9Y
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3DA6
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![BU of 3da6 by Molmil](/molmil-images/mine/3da6) | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | Deposit date: | 2008-05-28 | Release date: | 2009-01-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase Bioorg.Med.Chem.Lett., 19, 2009
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3DAK
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3G8D
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![BU of 3g8d by Molmil](/molmil-images/mine/3g8d) | Crystal structure of the biotin carboxylase subunit, E296A mutant, of acetyl-COA carboxylase from Escherichia coli | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, MAGNESIUM ION, ... | Authors: | Chou, C.Y, Yu, L.P, Tong, L. | Deposit date: | 2009-02-12 | Release date: | 2009-03-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of biotin carboxylase in complex with substrates and implications for its catalytic mechanism. J.Biol.Chem., 284, 2009
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3G8O
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![BU of 3g8o by Molmil](/molmil-images/mine/3g8o) | Progesterone Receptor with bound Pyrrolidine 1 | Descriptor: | N~2~-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-N~2~-(2,2,2-trifluoroethyl)-L-alaninamide, Progesterone receptor, SULFATE ION | Authors: | Thompson, S.K, Washburn, D.G, Madauss, K.P, Williams, S.P, Stewart, E.L. | Deposit date: | 2009-02-12 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 19, 2009
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3WYB
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![BU of 3wyb by Molmil](/molmil-images/mine/3wyb) | Structure of a meso-diaminopimelate dehydrogenase | Descriptor: | Meso-diaminopimelate D-dehydrogenase | Authors: | Sakuraba, H, Akita, H, Ohshima, T. | Deposit date: | 2014-08-25 | Release date: | 2015-05-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insight into the thermostable NADP(+)-dependent meso-diaminopimelate dehydrogenase from Ureibacillus thermosphaericus Acta Crystallogr.,Sect.D, 71, 2015
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3WYK
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![BU of 3wyk by Molmil](/molmil-images/mine/3wyk) | Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | Descriptor: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Hayano, Y. | Deposit date: | 2014-09-01 | Release date: | 2014-11-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor. J.Med.Chem., 57, 2014
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3GBB
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![BU of 3gbb by Molmil](/molmil-images/mine/3gbb) | X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with MSVIII-19 at 2.10A resolution | Descriptor: | (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, Glutamate receptor, ionotropic kainate 1 | Authors: | Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | Deposit date: | 2009-02-19 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Full Domain Closure of the Ligand-binding Core of the Ionotropic Glutamate Receptor iGluR5 Induced by the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine J.Biol.Chem., 284, 2009
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4RSW
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3GF9
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![BU of 3gf9 by Molmil](/molmil-images/mine/3gf9) | Crystal structure of human Intersectin 2 RhoGEF domain | Descriptor: | Intersectin 2, UNKNOWN ATOM OR ION | Authors: | Shen, Y, Tong, Y, Tempel, W, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-02-26 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human Intersectin 2 RhoGEF domain To be Published
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4RUY
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4RYL
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![BU of 4ryl by Molmil](/molmil-images/mine/4ryl) | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | Descriptor: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | Authors: | Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-15 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3). Angew.Chem.Int.Ed.Engl., 54, 2015
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3GIF
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![BU of 3gif by Molmil](/molmil-images/mine/3gif) | Crystal structure of DesKC_H188E in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor histidine kinase desK | Authors: | Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D. | Deposit date: | 2009-03-05 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural plasticity and catalysis regulation of a thermosensor histidine kinase Proc.Natl.Acad.Sci.USA, 106, 2009
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3X3Z
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![BU of 3x3z by Molmil](/molmil-images/mine/3x3z) | Copper amine oxidase from Arthrobacter globiformis: Aminoresorcinol form produced by anaerobic reduction with ethylamine hydrochloride | Descriptor: | CHLORIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | Deposit date: | 2015-03-10 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions. J.Biol.Chem., 290, 2015
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3WYC
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![BU of 3wyc by Molmil](/molmil-images/mine/3wyc) | Structure of a meso-diaminopimelate dehydrogenase in complex with NADP | Descriptor: | 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sakuraba, H, Akita, H, Ohshima, T. | Deposit date: | 2014-08-25 | Release date: | 2015-05-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural insight into the thermostable NADP(+)-dependent meso-diaminopimelate dehydrogenase from Ureibacillus thermosphaericus Acta Crystallogr.,Sect.D, 71, 2015
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3WYL
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![BU of 3wyl by Molmil](/molmil-images/mine/3wyl) | Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | Descriptor: | 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Hayano, Y. | Deposit date: | 2014-09-01 | Release date: | 2014-11-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor. J.Med.Chem., 57, 2014
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4S1X
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![BU of 4s1x by Molmil](/molmil-images/mine/4s1x) | Crystal structure of HA2-Del-L2seM, Central Coiled-Coil from Influenza Hemagglutinin HA2 without Heptad Repeat Stutter | Descriptor: | GLYCEROL, Truncated hemagglutinin | Authors: | Malashkevich, V.N, Higgins, C.D, Lai, J.R, Almo, S.C. | Deposit date: | 2015-01-15 | Release date: | 2015-04-01 | Last modified: | 2015-06-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A switch from parallel to antiparallel strand orientation in a coiled-coil X-ray structure via two core hydrophobic mutations. Biopolymers, 104, 2015
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3GJD
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![BU of 3gjd by Molmil](/molmil-images/mine/3gjd) | Crystal Structure of LeuT with bound OG | Descriptor: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation Proc.Natl.Acad.Sci.USA, 106, 2009
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