3V66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v66 by Molmil](/molmil-images/mine/3v66) | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid | Descriptor: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N. | Deposit date: | 2011-12-18 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel tricyclic compounds as squalene synthase inhibitors Bioorg.Med.Chem., 20, 2012
|
|
3Q30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q30 by Molmil](/molmil-images/mine/3q30) | Human Squalene synthase in complex with (2R,3R)-2-Carboxymethoxy-3-[5-(2-naphthalenyl)pentyl]aminocarbonyl-3-[5-(2-naphthalenyl)pentyloxy]propionic acid | Descriptor: | (2R,3R)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Suzuki, M, Shimizu, H, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H. | Deposit date: | 2010-12-21 | Release date: | 2011-12-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors Bioorg.Med.Chem., 19, 2011
|
|
1SR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sr5 by Molmil](/molmil-images/mine/1sr5) | ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol, ... | Authors: | Dementiev, A, Petitou, M, Gettins, P.G. | Deposit date: | 2004-03-22 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The ternary complex of antithrombin-anhydrothrombin-heparin reveals the basis of inhibitor specificity. Nat.Struct.Mol.Biol., 11, 2004
|
|
1IOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ioq by Molmil](/molmil-images/mine/1ioq) | STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION | Descriptor: | LYSOZYME C | Authors: | Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T. | Deposit date: | 2001-03-28 | Release date: | 2001-04-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation. Protein Sci., 10, 2001
|
|
1IOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ios by Molmil](/molmil-images/mine/1ios) | STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION | Descriptor: | LYSOZYME C | Authors: | Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T. | Deposit date: | 2001-03-28 | Release date: | 2001-04-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation. Protein Sci., 10, 2001
|
|
1IOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iot by Molmil](/molmil-images/mine/1iot) | STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION | Descriptor: | LYSOZYME C | Authors: | Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T. | Deposit date: | 2001-03-28 | Release date: | 2001-04-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation. Protein Sci., 10, 2001
|
|
1IOR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ior by Molmil](/molmil-images/mine/1ior) | STABILIZATION OF HEN EGG WHITE LYSOZYME BY A CAVITY-FILLING MUTATION | Descriptor: | LYSOZYME C | Authors: | Ohmura, T, Ueda, T, Ootsuka, K, Saito, M, Imoto, T. | Deposit date: | 2001-03-28 | Release date: | 2001-04-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Stabilization of hen egg white lysozyme by a cavity-filling mutation. Protein Sci., 10, 2001
|
|
6CKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ckx by Molmil](/molmil-images/mine/6ckx) | |
3GB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gb2 by Molmil](/molmil-images/mine/3gb2) | GSK3beta inhibitor complex | Descriptor: | 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta | Authors: | Mol, C.D. | Deposit date: | 2009-02-18 | Release date: | 2010-03-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability. J.Med.Chem., 52, 2009
|
|
4GDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gdo by Molmil](/molmil-images/mine/4gdo) | Structure of a fragment of the rod domain of plectin | Descriptor: | Plectin | Authors: | De Pereda, J.M, Buey, R.M, Uson, I, Sammito, M.D, De Marino, I. | Deposit date: | 2012-08-01 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploiting tertiary structure through local folds for crystallographic phasing. Nat.Methods, 10, 2013
|
|
3F88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f88 by Molmil](/molmil-images/mine/3f88) | glycogen synthase Kinase 3beta inhibitor complex | Descriptor: | 3-methylbenzonitrile, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione, Glycogen synthase kinase-3 beta | Authors: | Mol, C.D, Dougan, D.R. | Deposit date: | 2008-11-11 | Release date: | 2009-03-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta. Bioorg.Med.Chem., 17, 2009
|
|
3F7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f7z by Molmil](/molmil-images/mine/3f7z) | X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor | Descriptor: | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta | Authors: | Mol, C.D, Dougan, D.R. | Deposit date: | 2008-11-10 | Release date: | 2009-03-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta. Bioorg.Med.Chem., 17, 2009
|
|
4GN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gn0 by Molmil](/molmil-images/mine/4gn0) | De novo phasing of a Hamp-complex using an improved Arcimboldo method | Descriptor: | Hamp domain of AF1503, MAGNESIUM ION | Authors: | Hulko, M, Ursinus, A, Bar, K, Martin, J, Zeth, K, Lupas, A.N. | Deposit date: | 2012-08-16 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploiting tertiary structure through local folds for crystallographic phasing. Nat.Methods, 10, 2013
|
|
8IJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8iju by Molmil](/molmil-images/mine/8iju) | ATP-dependent RNA helicase DDX39A (URH49delta41) | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DDX39A, PHOSPHATE ION, ... | Authors: | Mikami, B, Fujita, K, Masuda, S, Kojima, M. | Deposit date: | 2023-02-28 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural differences between the closely related RNA helicases, UAP56 and URH49, fashion distinct functional apo-complexes. Nat Commun, 15, 2024
|
|
5URM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5urm by Molmil](/molmil-images/mine/5urm) | Crystal structure of human BRR2 in complex with T-1206548 | Descriptor: | 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase | Authors: | Klein, M.G, Tjhen, R, Qin, L. | Deposit date: | 2017-02-11 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J. Med. Chem., 60, 2017
|
|
5URJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5urj by Molmil](/molmil-images/mine/5urj) | Crystal structure of human BRR2 in complex with T-3905516 | Descriptor: | 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | Authors: | Klein, M.G, Tjhen, R, Qin, L. | Deposit date: | 2017-02-10 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J. Med. Chem., 60, 2017
|
|
5URK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5urk by Molmil](/molmil-images/mine/5urk) | Crystal structure of human BRR2 in complex with T-3935799 | Descriptor: | 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase | Authors: | Qin, L, Tjhen, R, Klein, M.G. | Deposit date: | 2017-02-10 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J. Med. Chem., 60, 2017
|
|
1TLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tlk by Molmil](/molmil-images/mine/1tlk) | |
3WRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wrh by Molmil](/molmil-images/mine/3wrh) | Crystal structure of P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | Deposit date: | 2014-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of P450cam intermedite To be Published
|
|
7PCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pce by Molmil](/molmil-images/mine/7pce) | BurG (apo): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ketol-acid reductoisomerase, PHOSPHATE ION | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
|
|
7PCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pco by Molmil](/molmil-images/mine/7pco) | BurG E232Q mutant (holo) in complex with 2R,3R-2,3-dihydroxy-6-methyl-heptanoate (12): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
|
|
7PCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pct by Molmil](/molmil-images/mine/7pct) | BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, GLYCEROL, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-04 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
|
|
7PCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pcc by Molmil](/molmil-images/mine/7pcc) | BurG in complex with Mg2+ and NAD+ (holo): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | GLYCEROL, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
|
|
7PCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pcm by Molmil](/molmil-images/mine/7pcm) | BurG (holo) in complex with (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate (13): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
|
|
7PCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pcg by Molmil](/molmil-images/mine/7pcg) | BurG (holo) in complex with cyclopropane-1,1-dicarboxylate (7): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | GLYCEROL, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
|
|