7RHR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rhr by Molmil](/molmil-images/mine/7rhr) | Cryo-EM structure of Xenopus Patched-1 in nanodisc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Huang, P, Lian, T, Jiang, J, Salic, A. | Deposit date: | 2021-07-18 | Release date: | 2022-03-02 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for catalyzed assembly of the Sonic hedgehog-Patched1 signaling complex. Dev.Cell, 57, 2022
|
|
6GDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gdz by Molmil](/molmil-images/mine/6gdz) | exendin-4 based dual GLP-1/glucagon receptor agonist | Descriptor: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | Authors: | Evers, A, Kurz, M. | Deposit date: | 2018-04-25 | Release date: | 2018-06-20 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
|
|
6GE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ge2 by Molmil](/molmil-images/mine/6ge2) | exendin-4 based dual GLP-1/glucagon receptor agonist | Descriptor: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | Authors: | Evers, A, Kurz, M. | Deposit date: | 2018-04-25 | Release date: | 2018-06-20 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
|
|
6GB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gb1 by Molmil](/molmil-images/mine/6gb1) | Crystal structure of the GLP1 receptor ECD with Peptide 11 | Descriptor: | Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ... | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2018-04-13 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
|
|
8QDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qdy by Molmil](/molmil-images/mine/8qdy) | |
3TTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ttj by Molmil](/molmil-images/mine/3ttj) | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012
|
|
8QE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qe0 by Molmil](/molmil-images/mine/8qe0) | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12 | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
|
|
8QE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qe2 by Molmil](/molmil-images/mine/8qe2) | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21 | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.109 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
|
|
8QE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qe3 by Molmil](/molmil-images/mine/8qe3) | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31 | Descriptor: | 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.089 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
|
|
8QE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qe1 by Molmil](/molmil-images/mine/8qe1) | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15 | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.095 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
|
|
8QDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qdz by Molmil](/molmil-images/mine/8qdz) | |
7K9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k9p by Molmil](/molmil-images/mine/7k9p) | Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX. | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P. | Deposit date: | 2020-09-29 | Release date: | 2020-10-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser. Structure, 2022
|
|
7OO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oo5 by Molmil](/molmil-images/mine/7oo5) | |
3TTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tti by Molmil](/molmil-images/mine/3tti) | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
|
|
6ET4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6et4 by Molmil](/molmil-images/mine/6et4) | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ... | Authors: | Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S. | Deposit date: | 2017-10-25 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage. Nat Commun, 9, 2018
|
|
7NYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nyj by Molmil](/molmil-images/mine/7nyj) | Structure of OBP1 from Varroa destructor, form P3<2>21 | Descriptor: | CALCIUM ION, Odorant Binding Protein 1 from Varoa destructor, form P3<2>21, ... | Authors: | Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P. | Deposit date: | 2021-03-22 | Release date: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity. Sci Rep, 11, 2021
|
|
7NZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nza by Molmil](/molmil-images/mine/7nza) | Structure of OBP1 from Varroa destructor, form P2<1> | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Odorant Binding Protein from Varroa destructor, form P2<1>, ... | Authors: | Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P. | Deposit date: | 2021-03-23 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity. Sci Rep, 11, 2021
|
|
3V77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v77 by Molmil](/molmil-images/mine/3v77) | Crystal structure of a putative fumarylacetoacetate isomerase/hydrolase from Oleispira antarctica | Descriptor: | ACETATE ION, D(-)-TARTARIC ACID, Putative fumarylacetoacetate isomerase/hydrolase, ... | Authors: | Stogios, P.J, Kagan, O, Di Leo, R, Bochkarev, A, Edwards, A.M, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-12-20 | Release date: | 2012-01-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
|
|
8D91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d91 by Molmil](/molmil-images/mine/8d91) | Crystal structure of ChoE in complex with acetate and tetraethylammonium (TEA) | Descriptor: | ACETATE ION, ChoE, TETRAETHYLAMMONIUM ION | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
|
|
8D8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d8z by Molmil](/molmil-images/mine/8d8z) | Crystal structure of ChoE N147A mutant in complex with thiocholine and chloride | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, CHLORIDE ION, ChoE, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
|
|
8D8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d8w by Molmil](/molmil-images/mine/8d8w) | Crystal structure of ChoE with Ser38 adopting alternative conformations | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ChoE, IODIDE ION | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
|
|
8D8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d8y by Molmil](/molmil-images/mine/8d8y) | Crystal structure of ChoE N147A mutant in complex with acetylthiocholine | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETYLTHIOCHOLINE, CHLORIDE ION, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
|
|
8D90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d90 by Molmil](/molmil-images/mine/8d90) | Crystal structure of ChoE N147A mutant in complex with bromide ions | Descriptor: | BROMIDE ION, ChoE, GLYCEROL | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
|
|
8D8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d8x by Molmil](/molmil-images/mine/8d8x) | Crystal structure of ChoE in complex with acetate and thiocholine (crystal form 2) | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Pham, V.D, Shi, R. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published
|
|
8B7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b7y by Molmil](/molmil-images/mine/8b7y) | Cryo-EM structure of the E.coli 70S ribosome in complex with the antibiotic Myxovalargin B. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Koller, T.O, Graf, M, Wilson, D.N. | Deposit date: | 2022-10-03 | Release date: | 2023-01-25 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition. J.Am.Chem.Soc., 145, 2023
|
|