6M1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m1k by Molmil](/molmil-images/mine/6m1k) | USP7 in complex with a novel inhibitor | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate | Authors: | Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A. | Deposit date: | 2020-02-26 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies. Eur.J.Med.Chem., 199, 2020
|
|
1RTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rtw by Molmil](/molmil-images/mine/1rtw) | X-ray Structure of PF1337, a TenA Homologue from Pyrococcus furiosus. Northeast Structural Genomics Research Consortium (Nesg) Target PFR34 | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, transcriptional activator, ... | Authors: | Benach, J, Edstrom, W.C, Lee, I, Rong, X, Acton, T.B, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-10 | Release date: | 2004-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism. Acta Crystallogr.,Sect.D, 61, 2005
|
|
3UBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ubu by Molmil](/molmil-images/mine/3ubu) | Crystal structure of agkisacucetin, a GpIb-binding snaclec (snake C-type lectin) that inhibits platelet | Descriptor: | Agglucetin subunit alpha-1, Agglucetin subunit beta-2, GLYCEROL, ... | Authors: | Gao, Y, Ge, H, Chen, H, Li, H, Liu, Y, Niu, L, Teng, M. | Deposit date: | 2011-10-25 | Release date: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of agkisacucetin, a Gpib-binding snake C-type lectin that inhibits platelet adhesion and aggregation. Proteins, 2012
|
|
7JS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7js8 by Molmil](/molmil-images/mine/7js8) | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2020-08-14 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.634 Å) | Cite: | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity. J.Med.Chem., 64, 2021
|
|
7EPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7epc by Molmil](/molmil-images/mine/7epc) | Cryo-EM structure of inactive mGlu7 homodimer | Descriptor: | Isoform 3 of Metabotropic glutamate receptor 7 | Authors: | Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q. | Deposit date: | 2021-04-26 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature, 594, 2021
|
|
7EPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7epb by Molmil](/molmil-images/mine/7epb) | Cryo-EM structure of LY354740-bound mGlu2 homodimer | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, Anti-RON nanobody, Metabotropic glutamate receptor 2 | Authors: | Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q. | Deposit date: | 2021-04-26 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature, 594, 2021
|
|
7EPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7epa by Molmil](/molmil-images/mine/7epa) | Cryo-EM structure of inactive mGlu2 homodimer | Descriptor: | Metabotropic glutamate receptor 2 | Authors: | Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q. | Deposit date: | 2021-04-26 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature, 594, 2021
|
|
7EPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7epf by Molmil](/molmil-images/mine/7epf) | Crystal structure of mGlu2 bound to NAM597 | Descriptor: | (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2 | Authors: | Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q. | Deposit date: | 2021-04-26 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature, 594, 2021
|
|
7EPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7epd by Molmil](/molmil-images/mine/7epd) | Cryo-EM structure of inactive mGlu2-7 heterodimer | Descriptor: | Isoform 3 of Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 2,Peptidylprolyl isomerase | Authors: | Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q. | Deposit date: | 2021-04-26 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature, 594, 2021
|
|
7EPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7epe by Molmil](/molmil-images/mine/7epe) | Crystal structure of mGlu2 bound to NAM563 | Descriptor: | 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2 | Authors: | Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q. | Deposit date: | 2021-04-26 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature, 594, 2021
|
|
1XHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xhs by Molmil](/molmil-images/mine/1xhs) | Solution NMR Structure of Protein ytfP from Escherichia coli. Northeast Structural Genomics Consortium Target ER111. | Descriptor: | Hypothetical UPF0131 protein ytfP | Authors: | Aramini, J.M, Huang, Y.J, Swapna, G.V.T, Paranji, R.K, Xiao, R, Shastry, R, Acton, T.B, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-09-20 | Release date: | 2005-01-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of Escherichia coli ytfP expands the structural coverage of the UPF0131 protein domain family. Proteins, 68, 2007
|
|
2ZIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zih by Molmil](/molmil-images/mine/2zih) | |
8IKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ikh by Molmil](/molmil-images/mine/8ikh) | Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8IKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ikg by Molmil](/molmil-images/mine/8ikg) | Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
4OD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4od0 by Molmil](/molmil-images/mine/4od0) | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | Descriptor: | 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | Deposit date: | 2014-01-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
|
|
5Z1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z1v by Molmil](/molmil-images/mine/5z1v) | Crystal structure of AvrPib | Descriptor: | AvrPib protein | Authors: | Zhang, X, He, D, Zhao, Y.X, Taylor, I.A, Peng, Y.L, Yang, J, Liu, J.F. | Deposit date: | 2017-12-28 | Release date: | 2018-09-05 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (1.661 Å) | Cite: | A positive-charged patch and stabilized hydrophobic core are essential for avirulence function of AvrPib in the rice blast fungus. Plant J., 96, 2018
|
|
4WX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wx0 by Molmil](/molmil-images/mine/4wx0) | UndA complexed with beta-hydroxydodecanoic acid | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, FE (III) ION, PEROXIDE ION, ... | Authors: | Li, X, Cate, J.D.H. | Deposit date: | 2014-11-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4WWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wwz by Molmil](/molmil-images/mine/4wwz) | UndA complexed with 2,3-dodecenoic acid | Descriptor: | (2E)-dodec-2-enoic acid, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | Li, X, Cate, J.D.H. | Deposit date: | 2014-11-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4WWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wwj by Molmil](/molmil-images/mine/4wwj) | UndA, an oxygen-activating, non-heme iron dependent desaturase/decarboxylase | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | Authors: | Li, X, Cate, J.D.H. | Deposit date: | 2014-11-11 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
2RHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rhs by Molmil](/molmil-images/mine/2rhs) | PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | Authors: | Evdokimov, A.G, Mekel, M. | Deposit date: | 2007-10-09 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus. J.Struct.Biol., 162, 2008
|
|
5X04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x04 by Molmil](/molmil-images/mine/5x04) | 12:0-ACP thioesterase from Umbellularia californica | Descriptor: | Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic | Authors: | Xue, S, Feng, Y. | Deposit date: | 2017-01-19 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural Insight into Acyl-ACP Thioesterase toward Substrate Specificity Design. ACS Chem. Biol., 12, 2017
|
|
2RHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rhq by Molmil](/molmil-images/mine/2rhq) | PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | Authors: | Evdokimov, A.G, Mekel, M. | Deposit date: | 2007-10-09 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus. J.Struct.Biol., 162, 2008
|
|
5YU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yu9 by Molmil](/molmil-images/mine/5yu9) | Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2017-11-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation. Oncotarget, 7, 2016
|
|
5CD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cd5 by Molmil](/molmil-images/mine/5cd5) | |
5C5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c5s by Molmil](/molmil-images/mine/5c5s) | |