5BOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bou by Molmil](/molmil-images/mine/5bou) | |
2XQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xqa by Molmil](/molmil-images/mine/2xqa) | Pentameric ligand gated ion channel GLIC in complex with tetrabutylantimony (TBSb) | Descriptor: | ANTIMONY (III) ION, GLR4197 PROTEIN | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
|
|
2XQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xq7 by Molmil](/molmil-images/mine/2xq7) | Pentameric ligand gated ion channel GLIC in complex with cadmium ion (Cd2+) | Descriptor: | CADMIUM ION, GLR4197 PROTEIN | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
|
|
2XQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xq3 by Molmil](/molmil-images/mine/2xq3) | Pentameric ligand gated ion channel GLIC in complex with Br-lidocaine | Descriptor: | BROMIDE ION, GLR4197 PROTEIN | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
|
|
1RJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rjk by Molmil](/molmil-images/mine/1rjk) | crystal structure of the rat vitamin D receptor ligand binding domain complexed with 2MD and a synthetic peptide containing the NR2 box of DRIP 205 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIO L, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, Bauer, C.B, Pike, J.W, DeLuca, H.F. | Deposit date: | 2003-11-19 | Release date: | 2004-04-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide Biochemistry, 43, 2004
|
|
2GPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gpv by Molmil](/molmil-images/mine/2gpv) | Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma, Nuclear receptor corepressor 2 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
|
|
6FKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fkc by Molmil](/molmil-images/mine/6fkc) | Crystal structure of N2C/D282C stabilized opsin bound to RS15 | Descriptor: | 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6SJ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sj7 by Molmil](/molmil-images/mine/6sj7) | |
2F34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f34 by Molmil](/molmil-images/mine/2f34) | |
6FKB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fkb by Molmil](/molmil-images/mine/6fkb) | Crystal structure of N2C/D282C stabilized opsin bound to RS13 | Descriptor: | 2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6FK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fk6 by Molmil](/molmil-images/mine/6fk6) | Crystal structure of N2C/D282C stabilized opsin bound to RS01 | Descriptor: | (2~{S})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
4M3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m3d by Molmil](/molmil-images/mine/4m3d) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
|
|
6FK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fk8 by Molmil](/molmil-images/mine/6fk8) | Crystal structure of N2C/D282C stabilized opsin bound to RS08 | Descriptor: | (2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6FK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fk7 by Molmil](/molmil-images/mine/6fk7) | Crystal structure of N2C/D282C stabilized opsin bound to RS06 | Descriptor: | (2~{R},3~{R})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6FKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fkd by Molmil](/molmil-images/mine/6fkd) | Crystal structure of N2C/D282C stabilized opsin bound to RS16 | Descriptor: | 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one, PALMITIC ACID, Rhodopsin, ... | Authors: | Mattle, D, Standfuss, J, Dawson, R. | Deposit date: | 2018-01-23 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Ligand channel in pharmacologically stabilized rhodopsin. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
3R76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r76 by Molmil](/molmil-images/mine/3r76) | Crystal structure of 2-amino-2-desoxyisochorismate synthase (ADIC) synthase PhzE from Burkholderia lata 383 in complex with benzoate, pyruvate and glutamine | Descriptor: | Anthranilate/para-aminobenzoate synthases component I, BENZOIC ACID, MAGNESIUM ION, ... | Authors: | Li, Q.A, Mavrodi, D.V, Thomashow, L.S, Roessle, M, Blankenfeldt, W. | Deposit date: | 2011-03-22 | Release date: | 2011-03-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Ligand Binding Induces an Ammonia Channel in 2-Amino-2-desoxyisochorismate (ADIC) Synthase PhzE. J.Biol.Chem., 286, 2011
|
|
3R74
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r74 by Molmil](/molmil-images/mine/3r74) | Crystal structure of 2-amino-2-desoxyisochorismate synthase (ADIC) synthase PhzE from Burkholderia lata 383 | Descriptor: | Anthranilate/para-aminobenzoate synthases component I | Authors: | Li, Q.A, Mavrodi, D.V, Thomashow, L.S, Roessle, M, Blankenfeldt, W. | Deposit date: | 2011-03-22 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand Binding Induces an Ammonia Channel in 2-Amino-2-desoxyisochorismate (ADIC) Synthase PhzE. J.Biol.Chem., 286, 2011
|
|
2GPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gpp by Molmil](/molmil-images/mine/2gpp) | Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716 | Descriptor: | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
|
|
4M3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m3e by Molmil](/molmil-images/mine/4m3e) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
|
|
4M3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m3g by Molmil](/molmil-images/mine/4m3g) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
|
|
5N05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n05 by Molmil](/molmil-images/mine/5n05) | X-ray crystal structure of an LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-02-02 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH. Carbohydr. Res., 448, 2017
|
|
2GPO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gpo by Molmil](/molmil-images/mine/2gpo) | Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140 | Descriptor: | Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | Deposit date: | 2006-04-18 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation. J.Biol.Chem., 281, 2006
|
|
2V3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v3n by Molmil](/molmil-images/mine/2v3n) | Crystallographic analysis of upper axial ligand substitutions in cobalamin bound to transcobalamin | Descriptor: | CHLORIDE ION, COBALAMIN, CYANIDE ION, ... | Authors: | Wuerges, J, Geremia, S, Randaccio, L. | Deposit date: | 2007-06-19 | Release date: | 2007-10-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Vitamin B12 Transport Proteins: Crystallographic Analysis of Beta-Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin. Iubmb Life, 59, 2007
|
|
2D5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2d5d by Molmil](/molmil-images/mine/2d5d) | |
3R77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r77 by Molmil](/molmil-images/mine/3r77) | Crystal structure of the D38A mutant of isochorismatase PhzD from Pseudomonas fluorescens 2-79 in complex with 2-amino-2-desoxyisochorismate ADIC | Descriptor: | (5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid, CHLORIDE ION, Probable isochorismatase | Authors: | Li, Q.A, Mavrodi, D.V, Thomashow, L.S, Roessle, M, Blankenfeldt, W. | Deposit date: | 2011-03-22 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Binding Induces an Ammonia Channel in 2-Amino-2-desoxyisochorismate (ADIC) Synthase PhzE. J.Biol.Chem., 286, 2011
|
|