3DOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3doy by Molmil](/molmil-images/mine/3doy) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
|
|
3DP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dp3 by Molmil](/molmil-images/mine/3dp3) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | Deposit date: | 2008-07-07 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J.Med.Chem., 52, 2009
|
|
5GWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gwz by Molmil](/molmil-images/mine/5gwz) | The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor | Descriptor: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, PEDV main protease | Authors: | Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H. | Deposit date: | 2016-09-14 | Release date: | 2017-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus J. Med. Chem., 60, 2017
|
|
1ORR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1orr by Molmil](/molmil-images/mine/1orr) | |
8FT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ft4 by Molmil](/molmil-images/mine/8ft4) | Multicrystal structure of Na+, leucine-bound LeuT determined at 5 keV | Descriptor: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | Authors: | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | Deposit date: | 2023-01-11 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter To be Published
|
|
1B10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b10 by Molmil](/molmil-images/mine/1b10) | SOLUTION NMR STRUCTURE OF RECOMBINANT SYRIAN HAMSTER PRION PROTEIN RPRP(90-231) , 25 STRUCTURES | Descriptor: | PROTEIN (PRION PROTEIN) | Authors: | James, T.L, Liu, H, Ulyanov, N.B, Farr-Jones, S. | Deposit date: | 1998-11-25 | Release date: | 1998-12-02 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a 142-residue recombinant prion protein corresponding to the infectious fragment of the scrapie isoform. Proc.Natl.Acad.Sci.USA, 94, 1997
|
|
7JVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jvq by Molmil](/molmil-images/mine/7jvq) | Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
7JVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jvp by Molmil](/molmil-images/mine/7jvp) | Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
7JV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jv5 by Molmil](/molmil-images/mine/7jv5) | Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-20 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
7JVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jvr by Molmil](/molmil-images/mine/7jvr) | Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein | Descriptor: | Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
6PT0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pt0 by Molmil](/molmil-images/mine/6pt0) | Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | Descriptor: | CHOLESTEROL, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, T.H, Xing, C, Zhuang, Y, Feng, Z, Zhou, X.E, Chen, M, Wang, L, Meng, X, Xue, Y, Wang, J, Liu, H, McGuire, T, Zhao, G, Melcher, K, Zhang, C, Xu, H.E, Xie, X.Q. | Deposit date: | 2019-07-14 | Release date: | 2020-02-12 | Last modified: | 2020-03-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex. Cell, 180, 2020
|
|
1ST4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1st4 by Molmil](/molmil-images/mine/1st4) | Structure of DcpS bound to m7GpppA | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, YTTRIUM (III) ION, mRNA decapping enzyme | Authors: | Gu, M, Fabrega, C, Liu, S.W, Liu, H, Kiledjian, M, Lima, C.D. | Deposit date: | 2004-03-24 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Insights into the structure, mechanism, and regulation of scavenger mRNA decapping activity Mol.Cell, 14, 2004
|
|
1ST0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1st0 by Molmil](/molmil-images/mine/1st0) | Structure of DcpS bound to m7GpppG | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, YTTRIUM (III) ION, mRNA decapping enzyme | Authors: | Gu, M, Fabrega, C, Liu, S.W, Liu, H, Kiledjian, M, Lima, C.D. | Deposit date: | 2004-03-24 | Release date: | 2004-04-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the structure, mechanism, and regulation of scavenger mRNA decapping activity Mol.Cell, 14, 2004
|
|
1ZZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zz6 by Molmil](/molmil-images/mine/1zz6) | Crystal Structure of Apo-HppE | Descriptor: | Hydroxypropylphosphonic Acid Epoxidase | Authors: | Higgins, L.J, Yan, F, Liu, P, Liu, H.W, Drennan, C.L. | Deposit date: | 2005-06-13 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into antibiotic fosfomycin biosynthesis by a mononuclear iron enzyme Nature, 437, 2005
|
|
6KY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ky5 by Molmil](/molmil-images/mine/6ky5) | Crystal structure of a hydrolase mutant | Descriptor: | PET hydrolase, SULFATE ION | Authors: | Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B. | Deposit date: | 2019-09-16 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy. Biorxiv, 2020
|
|
1AZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1azv by Molmil](/molmil-images/mine/1azv) | FAMILIAL ALS MUTANT G37R CUZNSOD (HUMAN) | Descriptor: | COPPER (II) ION, COPPER/ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Liu, H, Pellegrini, M, Nersissian, A.M, Gralla, E.B, Valentine, J.S, Eisenberg, D. | Deposit date: | 1997-11-21 | Release date: | 1998-02-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Subunit asymmetry in the three-dimensional structure of a human CuZnSOD mutant found in familial amyotrophic lateral sclerosis. Protein Sci., 7, 1998
|
|
6V9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v9c by Molmil](/molmil-images/mine/6v9c) | Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION | Authors: | Liu, J, Liu, H. | Deposit date: | 2019-12-13 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma. Acs Med.Chem.Lett., 11, 2020
|
|
7CRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7crj by Molmil](/molmil-images/mine/7crj) | Dark State Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-13 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
5C90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c90 by Molmil](/molmil-images/mine/5c90) | Staphylococcus aureus ClpP mutant - Y63A | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | Authors: | Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G. | Deposit date: | 2015-06-26 | Release date: | 2016-05-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure Acs Chem.Biol., 11, 2016
|
|
8FT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ft5 by Molmil](/molmil-images/mine/8ft5) | Crystal structure of LeuT soaked with Crown-5 | Descriptor: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | Authors: | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | Deposit date: | 2023-01-11 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter To be Published
|
|
1RKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rkx by Molmil](/molmil-images/mine/1rkx) | Crystal Structure at 1.8 Angstrom of CDP-D-glucose 4,6-dehydratase from Yersinia pseudotuberculosis | Descriptor: | CDP-glucose-4,6-dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Vogan, E.M, Bellamacina, C, He, X, Liu, H.W, Ringe, D, Petsko, G.A. | Deposit date: | 2003-11-23 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure at 1.8 A Resolution of CDP-d-Glucose 4,6-Dehydratase from Yersinia pseudotuberculosis Biochemistry, 43, 2004
|
|
4R99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r99 by Molmil](/molmil-images/mine/4r99) | Crystal structure of a uricase from Bacillus fastidious | Descriptor: | SULFATE ION, Uricase | Authors: | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | Deposit date: | 2014-09-03 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
|
|
4R8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r8x by Molmil](/molmil-images/mine/4r8x) | Crystal structure of a uricase from Bacillus fastidious | Descriptor: | Uricase | Authors: | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | Deposit date: | 2014-09-03 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
|
|
2X5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x5f by Molmil](/molmil-images/mine/2x5f) | Crystal structure of the methicillin-resistant Staphylococcus aureus Sar2028, an aspartate_tyrosine_phenylalanine pyridoxal-5'-phosphate dependent aminotransferase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASPARTATE_TYROSINE_PHENYLALANINE PYRIDOXAL-5' PHOSPHATE-DEPENDENT AMINOTRANSFERASE, MAGNESIUM ION, ... | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-02-08 | Release date: | 2010-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genom., 11, 2010
|
|
3TI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ti5 by Molmil](/molmil-images/mine/3ti5) | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
|
|