3NXF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nxf by Molmil](/molmil-images/mine/3nxf) | Robust computational design, optimization, and structural characterization of retroaldol enzymes | Descriptor: | Retro-Aldolase, SULFATE ION | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | Deposit date: | 2010-07-13 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
|
|
3O6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o6y by Molmil](/molmil-images/mine/3o6y) | Robust computational design, optimization, and structural characterization of retroaldol enzymes | Descriptor: | Retro-Aldolase, SULFATE ION | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | Deposit date: | 2010-07-29 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
|
|
1XXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xxe by Molmil](/molmil-images/mine/1xxe) | RDC refined solution structure of the AaLpxC/TU-514 complex | Descriptor: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | Authors: | Coggins, B.E, McClerren, A.L, Jiang, L, Li, X, Rudolph, J, Hindsgaul, O, Raetz, C.R.H, Zhou, P. | Deposit date: | 2004-11-04 | Release date: | 2004-11-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined Solution Structure of the LpxC-TU-514 Complex and pK(a) Analysis of an Active Site Histidine: Insights into the Mechanism and Inhibitor Design Biochemistry, 44, 2005
|
|
6PES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pes by Molmil](/molmil-images/mine/6pes) | Cryo-EM structure of alpha-synuclein H50Q Wide Fibril | Descriptor: | Alpha-synuclein | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | Deposit date: | 2019-06-20 | Release date: | 2019-11-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs. Nat.Struct.Mol.Biol., 26, 2019
|
|
6PEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6peo by Molmil](/molmil-images/mine/6peo) | Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril | Descriptor: | Alpha-synuclein | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | Deposit date: | 2019-06-20 | Release date: | 2019-11-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs. Nat.Struct.Mol.Biol., 26, 2019
|
|
6UFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ufr by Molmil](/molmil-images/mine/6ufr) | Structure of recombinantly assembled E46K alpha-synuclein fibrils | Descriptor: | Alpha-synuclein | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Li, B, Jiang, L. | Deposit date: | 2019-09-24 | Release date: | 2020-02-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | The alpha-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5EWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ewu by Molmil](/molmil-images/mine/5ewu) | Crystal structure of the Arabidopsis thaliana C-terminal Chlh at 1.25A | Descriptor: | BENZOIC ACID, MAGNESIUM ION, Magnesium-chelatase subunit ChlH, ... | Authors: | Chen, Z, Zhang, X, Liu, Y, Jiang, L. | Deposit date: | 2015-11-21 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the Arabidopsis thaliana C-terminal Chlh at 1.25A To Be Published
|
|
5F8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f8z by Molmil](/molmil-images/mine/5f8z) | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1 | Descriptor: | CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein LIGHT CHAIN, SULFATE ION, ... | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | Deposit date: | 2015-12-09 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1 To Be Published
|
|
5F8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f8t by Molmil](/molmil-images/mine/5f8t) | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 | Descriptor: | CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein light chain, SULFATE ION, ... | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | Deposit date: | 2015-12-09 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 To Be Published
|
|
5F8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f8x by Molmil](/molmil-images/mine/5f8x) | The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3 | Descriptor: | CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-TRP-CYS, Plasma kallikrein, SULFATE ION, ... | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | Deposit date: | 2015-12-09 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure Of Human Plasma Kallikrein In Complex With Its Peptide Inhibitor Pkalin-3 To Be Published
|
|
6AKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ako by Molmil](/molmil-images/mine/6ako) | Crystal Structure of FOXC2 DBD Bound to DBE2 DNA | Descriptor: | DNA (5'-D(CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Forkhead box protein C2, ... | Authors: | Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y. | Deposit date: | 2018-09-03 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Structural basis for DNA recognition by FOXC2. Nucleic Acids Res., 47, 2019
|
|
6AKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6akp by Molmil](/molmil-images/mine/6akp) | Crystal Structural of FOXC2 DNA binding domain bound to PC promoter | Descriptor: | DNA (5'-D(AP*CP*AP*CP*AP*AP*AP*TP*AP*TP*TP*TP*GP*TP*GP*T)-3'), Forkhead box protein C2, MAGNESIUM ION | Authors: | Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y. | Deposit date: | 2018-09-03 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.323 Å) | Cite: | Structural basis for DNA recognition by FOXC2. Nucleic Acids Res., 47, 2019
|
|
2M01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m01 by Molmil](/molmil-images/mine/2m01) | Solution structure of Kunitz-type neurotoxin LmKKT-1a from scorpion venom | Descriptor: | Protease inhibitor LmKTT-1a | Authors: | Luo, F, Jiang, L, Liu, M, Chen, Z, Wu, Y. | Deposit date: | 2012-10-15 | Release date: | 2013-11-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Genomic and structural characterization of Kunitz-type peptide LmKTT-1a highlights diversity and evolution of scorpion potassium channel toxins. Plos One, 8, 2013
|
|
2O8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o8u by Molmil](/molmil-images/mine/2o8u) | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | Descriptor: | BENZAMIDINE, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Zhao, G, Yuan, C, Jiang, L, Huang, Z, Huang, M. | Deposit date: | 2006-12-12 | Release date: | 2007-12-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors To be Published
|
|
2O8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o8t by Molmil](/molmil-images/mine/2o8t) | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q) in complex with Inhibitors | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Zhao, G, Yuan, C, Jiang, L, Huang, Z, Huang, M. | Deposit date: | 2006-12-12 | Release date: | 2007-12-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors To be Published
|
|
2O8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o8w by Molmil](/molmil-images/mine/2o8w) | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | Descriptor: | 1-phenylguanidine, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Zhao, G, Yuan, C, Jiang, L, Huang, Z, Huang, M. | Deposit date: | 2006-12-12 | Release date: | 2007-12-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors To be Published
|
|
5UHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uht by Molmil](/molmil-images/mine/5uht) | Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Liu, Y, Rose, J, Jiang, L, Zhou, P. | Deposit date: | 2017-01-12 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases. Nat Commun, 8, 2017
|
|
3CMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cmh by Molmil](/molmil-images/mine/3cmh) | SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST | Descriptor: | PROTEIN (ENDOTHELIN-1) | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | Deposit date: | 1998-09-03 | Release date: | 1999-09-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
|
|
5X07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x07 by Molmil](/molmil-images/mine/5x07) | Crystal structure of FOXA2 DNA binding domain bound to a full consensus DNA site | Descriptor: | DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Hepatocyte nuclear factor 3-beta | Authors: | Li, J, Guo, M, Zhou, Z, Jiang, L, Chen, X, Qu, L, Wu, D, Chen, Z, Chen, L, Chen, Y. | Deposit date: | 2017-01-20 | Release date: | 2017-08-16 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structure of the Forkhead Domain of FOXA2 Bound to a Complete DNA Consensus Site Biochemistry, 56, 2017
|
|
5V0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v0l by Molmil](/molmil-images/mine/5v0l) | Crystal structure of the AHR-ARNT heterodimer in complex with the DRE | Descriptor: | Aryl hydrocarbon receptor, Aryl hydrocarbon receptor nuclear translocator, CITRIC ACID, ... | Authors: | Seok, S.-H, Lee, W, Jiang, L, Bradfield, C.A, Xing, Y. | Deposit date: | 2017-02-28 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural hierarchy controlling dimerization and target DNA recognition in the AHR transcriptional complex. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8YUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yuv by Molmil](/molmil-images/mine/8yuv) | Cryo-EM structure of the immepip-bound H3R-Gi complex | Descriptor: | 4-(1H-imidazol-5-ylmethyl)piperidine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
|
|
8YUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yuu by Molmil](/molmil-images/mine/8yuu) | Cryo-EM structure of the histamine-bound H3R-Gi complex | Descriptor: | CHOLESTEROL, 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: | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
|
|
8YUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yut by Molmil](/molmil-images/mine/8yut) | Cryo-EM structure of the amthamine-bound H2R-Gs complex | Descriptor: | 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
|
|
3PB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pb1 by Molmil](/molmil-images/mine/3pb1) | Crystal Structure of a Michaelis Complex between Plasminogen Activator Inhibitor-1 and Urokinase-type Plasminogen Activator | Descriptor: | Plasminogen activator inhibitor 1, Plasminogen activator, urokinase, ... | Authors: | Lin, Z, Jiang, L, Huang, M, Structure 2 Function Project (S2F) | Deposit date: | 2010-10-20 | Release date: | 2010-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for recognition of urokinase-type plasminogen activator by plasminogen activator inhibitor-1. J.Biol.Chem., 286, 2011
|
|
3P71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p71 by Molmil](/molmil-images/mine/3p71) | Crystal structure of the complex of LCMT-1 and PP2A | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, DI(HYDROXYETHYL)ETHER, Leucine carboxyl methyltransferase 1, ... | Authors: | Xing, Y, Stanevich, V, Satyshur, K.A, Jiang, L. | Deposit date: | 2010-10-11 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structural Basis for Tight Control of PP2A Methylation and Function by LCMT-1. Mol.Cell, 41, 2011
|
|