1N86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n86 by Molmil](/molmil-images/mine/1n86) | Crystal structure of human D-dimer from cross-linked fibrin complexed with GPR and GHRPLDK peptide ligands. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Fibrin alpha/alpha-E chain, ... | Authors: | Yang, Z, Pandi, L, Doolittle, R.F. | Deposit date: | 2002-11-19 | Release date: | 2003-01-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of fragment double-D from cross-linked lamprey fibrin reveals isopeptide linkages across an unexpected D-D interface. Biochemistry, 41, 2002
|
|
2IJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ij4 by Molmil](/molmil-images/mine/2ij4) | Structure of the A264K mutant of cytochrome P450 BM3 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 | Authors: | Toogood, H.S, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
|
|
2GI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gi4 by Molmil](/molmil-images/mine/2gi4) | |
5IEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ieo by Molmil](/molmil-images/mine/5ieo) | Structure of CDL2.3a, a computationally designed Vitamin-D3 binder | Descriptor: | 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2016-02-25 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
|
|
7B5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b5a by Molmil](/molmil-images/mine/7b5a) | X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)2NO3 determined at 1.97 Angstroms | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ... | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | Deposit date: | 2020-12-03 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes. J.Inorg.Biochem., 218, 2021
|
|
7B58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b58 by Molmil](/molmil-images/mine/7b58) | X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)Cl determined at 1.72 Angstroms | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ... | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | Deposit date: | 2020-12-03 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes. J.Inorg.Biochem., 218, 2021
|
|
7B59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b59 by Molmil](/molmil-images/mine/7b59) | X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)Br determined at 1.63 Angstroms | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ... | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | Deposit date: | 2020-12-03 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes. J.Inorg.Biochem., 218, 2021
|
|
6JPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jpm by Molmil](/molmil-images/mine/6jpm) | |
5IEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iep by Molmil](/molmil-images/mine/5iep) | Structure of CDL2.3b, a computationally designed Vitamin-D3 binder | Descriptor: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2016-02-25 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
|
|
7LES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7les by Molmil](/molmil-images/mine/7les) | Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, IMIDAZOLE, ... | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2021-01-15 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Homodimerization Counteracts the Detrimental Effect of Nitrogenous Heme Ligands on the Enzymatic Activity of Acanthamoeba castellanii CYP51. Biochemistry, 61, 2022
|
|
7A77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a77 by Molmil](/molmil-images/mine/7a77) | Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-27 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
|
|
7A79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a79 by Molmil](/molmil-images/mine/7a79) | Crystal structure of RXR gamma LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | Nuclear receptor coactivator 2, PALMITIC ACID, Retinoic acid receptor RXR-gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-27 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
|
|
5LDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ldk by Molmil](/molmil-images/mine/5ldk) | |
5LDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ldp by Molmil](/molmil-images/mine/5ldp) | |
5LDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ldj by Molmil](/molmil-images/mine/5ldj) | |
1C0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c0q by Molmil](/molmil-images/mine/1c0q) | COMPLEX OF VANCOMYCIN WITH 2-ACETOXY-D-PROPANOIC ACID | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | Deposit date: | 1999-07-20 | Release date: | 1999-07-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Vancomycin binding to low-affinity ligands: delineating a minimum set of interactions necessary for high-affinity binding. J.Med.Chem., 42, 1999
|
|
5LDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ldq by Molmil](/molmil-images/mine/5ldq) | Crystal structure of E.coli LigT complexed with NADP+ | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL, ... | Authors: | Myllykoski, M, Kursula, P. | Deposit date: | 2016-06-27 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase. PLoS ONE, 12, 2017
|
|
7P0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p0i by Molmil](/molmil-images/mine/7p0i) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13 | Descriptor: | (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M. | Deposit date: | 2021-06-29 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes. Acs Chem Neurosci, 13, 2022
|
|
7P0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p0f by Molmil](/molmil-images/mine/7p0f) | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125 | Descriptor: | (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | Authors: | Southall, S.M, Watson, S.P. | Deposit date: | 2021-06-29 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes. Acs Chem Neurosci, 13, 2022
|
|
7YEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yeu by Molmil](/molmil-images/mine/7yeu) | Superfolder green fluorescent protein with phosphine unnatural amino acid P3BF | Descriptor: | Superfolder green fluorescent protein | Authors: | Hu, C, Duan, H.Z, Liu, X.H, Chen, Y.X, Wang, J.Y. | Deposit date: | 2022-07-06 | Release date: | 2023-07-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Genetically Encoded Phosphine Ligand for Metalloprotein Design. J.Am.Chem.Soc., 144, 2022
|
|
8K8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8k8t by Molmil](/molmil-images/mine/8k8t) | Structure of CUL3-RBX1-KLHL22 complex | Descriptor: | Cullin-3, Kelch-like protein 22 | Authors: | Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y. | Deposit date: | 2023-07-31 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22. Nat Commun, 15, 2024
|
|
3FVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fvo by Molmil](/molmil-images/mine/3fvo) | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with 8-epi-neodysiherbaine A in space group P1 | Descriptor: | (2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ... | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | Deposit date: | 2009-01-16 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structures of Human GluR5 Ligand-Binding Core in Complexes with Novel Marine-Derived Toxins, Dysiherbaine and Neodysiherbaine A, and Their Analogues To be Published
|
|
1C0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c0r by Molmil](/molmil-images/mine/1c0r) | COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | Deposit date: | 1999-07-20 | Release date: | 1999-07-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding. J.Med.Chem., 42, 1999
|
|
7WVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wvf by Molmil](/molmil-images/mine/7wvf) | ectoTLR3-mAb12-poly(I:C) complex | Descriptor: | RNA (46-MER), Toll-like receptor 3, mAb12 | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | Deposit date: | 2022-02-10 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand. Nat Commun, 13, 2022
|
|
7WVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wvj by Molmil](/molmil-images/mine/7wvj) | NT-mut(K117D,K139D,K145D) TLR3 -poly I:C complex | Descriptor: | RNA (46-MER), Toll-like receptor 3 | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | Deposit date: | 2022-02-10 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand. Nat Commun, 13, 2022
|
|