8U8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u8x by Molmil](/molmil-images/mine/8u8x) | crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | Descriptor: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, J, Mou, T.C. | Deposit date: | 2023-09-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA . J.Med.Chem., 67, 2024
|
|
7CCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ccp by Molmil](/molmil-images/mine/7ccp) | |
8JRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jrl by Molmil](/molmil-images/mine/8jrl) | Crystal structure of P450 TleB with an indole alkaloid | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, J, Yan, W.P. | Deposit date: | 2023-06-17 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering. Sci China Chem, 66, 2023
|
|
7EOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eoa by Molmil](/molmil-images/mine/7eoa) | HR-PETase from Bacterium HR29 | Descriptor: | ETHANOL, Poly(Ethylene terephthalate) hydrolase | Authors: | Wang, J, Wang, Y.H. | Deposit date: | 2021-04-21 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of Bomgl, a monoacylglycerol lipase from marine Bacillus To Be Published
|
|
7EQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eqh by Molmil](/molmil-images/mine/7eqh) | |
2KC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kc3 by Molmil](/molmil-images/mine/2kc3) | |
7YKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ykd by Molmil](/molmil-images/mine/7ykd) | Cryo-EM structure of the human chemerin receptor 1 complex with the C-terminal nonapeptide of chemerin | Descriptor: | CHOLESTEROL, Chemerin-like receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Chen, G, Liao, Q, Ye, R.D, Wang, J. | Deposit date: | 2022-07-22 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Cryo-EM structure of the human chemerin receptor 1-Gi protein complex bound to the C-terminal nonapeptide of chemerin. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7CM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cm1 by Molmil](/molmil-images/mine/7cm1) | Neuraminidase from the Wuhan Asiatic toad influenza virus | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | Authors: | Wang, J. | Deposit date: | 2020-07-23 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Lattice-translocation defects in specific crystals of the catalytic head domain of influenza neuraminidase. Acta Crystallogr D Struct Biol, 76, 2020
|
|
8WFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wfc by Molmil](/molmil-images/mine/8wfc) | |
8HGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hgu by Molmil](/molmil-images/mine/8hgu) | |
5HWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hwt by Molmil](/molmil-images/mine/5hwt) | Crystal structure of apo-PAS1 | Descriptor: | Sensor histidine kinase TodS | Authors: | Hwang, J, Koh, S. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
|
|
5HWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hww by Molmil](/molmil-images/mine/5hww) | Crystal structure of PAS1 complexed with 1,2,4-TMB | Descriptor: | 1,2,4-trimethylbenzene, Sensor histidine kinase TodS | Authors: | Hwang, J, Koh, S. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
|
|
5HWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hwv by Molmil](/molmil-images/mine/5hwv) | Crystal structure of PAS1 complexed with toluene | Descriptor: | Sensor histidine kinase TodS, TOLUENE | Authors: | Hwang, J, Koh, S. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
|
|
5XLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xln by Molmil](/molmil-images/mine/5xln) | |
7XRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xrh by Molmil](/molmil-images/mine/7xrh) | Feruloyl esterase from Lactobacillus acidophilus | Descriptor: | Cinnamoyl esterase | Authors: | Hwang, J, Lee, C.W, Lee, J.H, Do, H. | Deposit date: | 2022-05-10 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Feruloyl Esterase ( La Fae) from Lactobacillus acidophilus : Structural Insights and Functional Characterization for Application in Ferulic Acid Production. Int J Mol Sci, 24, 2023
|
|
7DVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dvn by Molmil](/molmil-images/mine/7dvn) | Crystal structure of a MarR family protein in complex with a lipid-like effector molecule from the psychrophilic bacterium Paenisporosarcina sp. TG-14 | Descriptor: | MarR family transcriptional regulator, PALMITIC ACID | Authors: | Lee, C.W, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2021-01-14 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a MarR family protein from the psychrophilic bacterium Paenisporosarcina sp. TG-14 in complex with a lipid-like molecule. Iucrj, 8, 2021
|
|
2W7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w7r by Molmil](/molmil-images/mine/2w7r) | Structure of the PDZ domain of Human Microtubule associated serine- threonine kinase 4 | Descriptor: | MICROTUBULE-ASSOCIATED SERINE/THREONINE-PROTEIN KINASE 4, PHOSPHATE ION | Authors: | Muniz, J.R.C, Elkins, J, Wang, J, Savitzky, P, Roos, A, Salah, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2008-12-24 | Release date: | 2009-05-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms. Protein Sci., 19, 2010
|
|
6DCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
|
|
2VRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vrl by Molmil](/molmil-images/mine/2vrl) | Structure of human MAO B in complex with benzylhydrazine | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, TOLUENE | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B Biochemistry, 47, 2008
|
|
2VRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vrm by Molmil](/molmil-images/mine/2vrm) | Structure of human MAO B in complex with phenyethylhydrazine | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, PHENYLETHANE | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2014-01-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B Biochemistry, 47, 2008
|
|
6T7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t7k by Molmil](/molmil-images/mine/6t7k) | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline | Descriptor: | 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ... | Authors: | Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-10-22 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline To Be Published
|
|
4DTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dtj by Molmil](/molmil-images/mine/4dtj) | RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddT/dA as the Penultimate Base-pair | Descriptor: | CALCIUM ION, DNA polymerase, DNA primer, ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA. Biochemistry, 51, 2012
|
|
4DU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4du3 by Molmil](/molmil-images/mine/4du3) | RB69 DNA Polymerase Ternary Complex with dDTP Opposite dT with 3-Deaza-adenine at the N-1 Position of Template Strand | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2012-02-21 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA. Biochemistry, 51, 2012
|
|
5EFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5efi by Molmil](/molmil-images/mine/5efi) | Crystal structure of mouse CD1d in complex with the p99p lipopeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Girardi, E, Wang, J, Zajonc, D.M. | Deposit date: | 2015-10-23 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of an alpha-Helical Peptide and Lipopeptide Bound to the Nonclassical Major Histocompatibility Complex (MHC) Class I Molecule CD1d. J.Biol.Chem., 291, 2016
|
|
6CYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cyw by Molmil](/molmil-images/mine/6cyw) | Structure of sphingomyelin in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-04-06 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Control of CD1d-restricted antigen presentation and inflammation by sphingomyelin. Nat.Immunol., 20, 2019
|
|