3A6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a6v by Molmil](/molmil-images/mine/3a6v) | |
3A6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a6t by Molmil](/molmil-images/mine/3a6t) | Crystal structure of MutT-8-OXO-DGMP complex | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, Mutator mutT protein, SODIUM ION, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2009-09-09 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base J.Biol.Chem., 285, 2010
|
|
2EI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ei6 by Molmil](/molmil-images/mine/2ei6) | FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine | Descriptor: | CALCIUM ION, Coagulation factor X, heavy chain, ... | Authors: | Suzuki, M. | Deposit date: | 2007-03-12 | Release date: | 2008-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
4ONC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4onc by Molmil](/molmil-images/mine/4onc) | Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640 | Descriptor: | Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid) | Authors: | Feng, X, Chan, H.C, Ko, T.P. | Deposit date: | 2014-01-28 | Release date: | 2014-04-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis J.Am.Chem.Soc., 136, 2014
|
|
2EI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ei7 by Molmil](/molmil-images/mine/2ei7) | |
3A6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a6u by Molmil](/molmil-images/mine/3a6u) | Crystal structure of MutT-8-OXO-dGMP-MN(II) complex | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Mutator mutT protein, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2009-09-09 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base J.Biol.Chem., 285, 2010
|
|
3A6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a6s by Molmil](/molmil-images/mine/3a6s) | Crystal structure of the MutT protein | Descriptor: | L(+)-TARTARIC ACID, Mutator mutT protein, SODIUM ION | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2009-09-09 | Release date: | 2009-10-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base J.Biol.Chem., 285, 2010
|
|
4XLY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xly by Molmil](/molmil-images/mine/4xly) | The complex structure of KS-D75C with substrate CPP | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
|
|
3WJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wj2 by Molmil](/molmil-images/mine/3wj2) | Crystal structure of ESTFA (FE-lacking apo form) | Descriptor: | Carboxylesterase | Authors: | Ohara, K, Unno, H, Oshima, Y, Furukawa, K, Fujino, N, Hirooka, K, Hemmi, H, Takahashi, S, Nishino, T, Kusunoki, M, Nakayama, T. | Deposit date: | 2013-10-03 | Release date: | 2014-07-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural insights into the low pH adaptation of a unique carboxylesterase from Ferroplasma: altering the pH optima of two carboxylesterases. J.Biol.Chem., 289, 2014
|
|
4XLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xlx by Molmil](/molmil-images/mine/4xlx) | Crystal structure of BjKS from Bradyrhizobium japonicum | Descriptor: | Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
|
|
3WJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wj1 by Molmil](/molmil-images/mine/3wj1) | Crystal structure of SSHESTI | Descriptor: | Carboxylesterase, octyl beta-D-glucopyranoside | Authors: | Ohara, K, Unno, H, Oshima, Y, Furukawa, K, Fujino, N, Hirooka, K, Hemmi, H, Takahashi, S, Nishino, T, Kusunoki, M, Nakayama, T. | Deposit date: | 2013-10-03 | Release date: | 2014-07-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the low pH adaptation of a unique carboxylesterase from Ferroplasma: altering the pH optima of two carboxylesterases. J.Biol.Chem., 289, 2014
|
|
3RDN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rdn by Molmil](/molmil-images/mine/3rdn) | NMR STRUCTURE OF THE N-TERMINAL DOMAIN WITH A LINKER PORTION OF ANTARCTIC EEL POUT ANTIFREEZE PROTEIN RD3, MINIMIZED AVERAGE STRUCTURE | Descriptor: | ANTIFREEZE PROTEIN RD3 TYPE III | Authors: | Miura, K, Ohgiya, S, Hoshino, T, Nemoto, N, Hikichi, K, Tsuda, S. | Deposit date: | 1998-02-24 | Release date: | 1999-02-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis for the binding of a globular antifreeze protein to ice. Nature, 384, 1996
|
|
3U7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u7s by Molmil](/molmil-images/mine/3u7s) | HIV PR drug resistant patient's variant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, Pol polyprotein | Authors: | Saskova, K.G, Rezacova, P, Konvalinka, J, Brynda, J, Kozisek, M. | Deposit date: | 2011-10-14 | Release date: | 2012-01-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir. J.Virol., 83, 2009
|
|
2E1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e1u by Molmil](/molmil-images/mine/2e1u) | |
3GGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ggu by Molmil](/molmil-images/mine/3ggu) | HIV PR drug resistant patient's variant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Saskova, K.G, Brynda, J, Rezacova, P. | Deposit date: | 2009-03-02 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir. J.Virol., 83, 2009
|
|
2E1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e1v by Molmil](/molmil-images/mine/2e1v) | Crystal structure of Dendranthema morifolium DmAT, seleno-methionine derivative | Descriptor: | acyl transferase | Authors: | Unno, H, Ichimaida, F, Kusunoki, M, Nakayama, T. | Deposit date: | 2006-10-28 | Release date: | 2007-04-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mutational Studies of Anthocyanin Malonyltransferases Establish the Features of BAHD Enzyme Catalysis J.Biol.Chem., 282, 2007
|
|
2E1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e1t by Molmil](/molmil-images/mine/2e1t) | Crystal structure of Dendranthema morifolium DmAT complexed with malonyl-CoA | Descriptor: | MALONYL-COENZYME A, acyl transferase | Authors: | Unno, H, Ichimaida, F, Kusunoki, M, Nakayama, T. | Deposit date: | 2006-10-28 | Release date: | 2007-04-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mutational Studies of Anthocyanin Malonyltransferases Establish the Features of BAHD Enzyme Catalysis J.Biol.Chem., 282, 2007
|
|
4GXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gxs by Molmil](/molmil-images/mine/4gxs) | Ligand binding domain of GluA2 (AMPA/glutamate receptor) bound to (-)-kaitocephalin | Descriptor: | (5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline, Glutamate receptor 2, ZINC ION | Authors: | Ahmed, A.H, Oswald, R.E. | Deposit date: | 2012-09-04 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9634 Å) | Cite: | The structure of (-)-kaitocephalin bound to the ligand binding domain of the (S)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)/glutamate receptor, GluA2. J.Biol.Chem., 287, 2012
|
|
2EI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ei8 by Molmil](/molmil-images/mine/2ei8) | FACTOR XA IN COMPLEX WITH THE INHIBITOR (1S,2R,4S)-N1-[(5-chloroindol-2-yl)carbonyl]-4-(N,N-dimethylcarbamoyl)-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine | Descriptor: | CALCIUM ION, Coagulation factor X, heavy chain, ... | Authors: | Suzuki, M. | Deposit date: | 2007-03-12 | Release date: | 2008-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of N-{(1R,2S,5S)-2-{[(5-Chloroindol-2-yl)carbonyl]amino}-5-[(dimethylamino)carbonyl]cyclohexyl}-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride: A Novel, Potent and Orally Active Direct Inhibitor of Factor Xa To be Published
|
|
5Y95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y95 by Molmil](/molmil-images/mine/5y95) | Haddock model of mSIN3B PAH1 domain | Descriptor: | Paired amphipathic helix protein Sin3b, propan-2-yl (3R,6S,9aS)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate | Authors: | Kurita, J, Hirao, Y, Nishimura, Y. | Deposit date: | 2017-08-22 | Release date: | 2017-10-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | A mimetic of the mSin3-binding helix of NRSF/REST ameliorates abnormal pain behavior in chronic pain models. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5X5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x5x by Molmil](/molmil-images/mine/5x5x) | Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219 | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, Fd chain of anti-osteocalcin antibody KTM219, ... | Authors: | Komatsu, M, Dong, J, Ueda, H, Arai, R. | Deposit date: | 2017-02-18 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219 To be published
|
|
4B9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b9h by Molmil](/molmil-images/mine/4b9h) | Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer: I3C heavy atom derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R. | Deposit date: | 2012-09-04 | Release date: | 2013-07-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization Elife, 2, 2013
|
|
4B8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b8v by Molmil](/molmil-images/mine/4b8v) | Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R. | Deposit date: | 2012-08-30 | Release date: | 2013-07-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization Elife, 2, 2013
|
|