6R8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r8o by Molmil](/molmil-images/mine/6r8o) | Human Cyclophilin D in complex with 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea | Descriptor: | 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-02 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6R8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r8w by Molmil](/molmil-images/mine/6r8w) | Human Cyclophilin D in complex with 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide, HEXAETHYLENE GLYCOL, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-02 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6R9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r9s by Molmil](/molmil-images/mine/6r9s) | Human Cyclophilin D in complex with bicyclic fragment | Descriptor: | (1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-04 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6R9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r9u by Molmil](/molmil-images/mine/6r9u) | Human Cyclophilin D in complex with fragment | Descriptor: | 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-04 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
4YXI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yxi by Molmil](/molmil-images/mine/4yxi) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | Descriptor: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
|
|
4YXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yxu by Molmil](/molmil-images/mine/4yxu) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). | Descriptor: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
|
|
4YX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yx4 by Molmil](/molmil-images/mine/4yx4) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
|
|
4YYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yyt by Molmil](/molmil-images/mine/4yyt) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). | Descriptor: | 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-24 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
|
|
4YXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yxo by Molmil](/molmil-images/mine/4yxo) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). | Descriptor: | 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-23 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
|
|
3SJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sjb by Molmil](/molmil-images/mine/3sjb) | Crystal structure of S. cerevisiae Get3 in the open state in complex with Get1 cytosolic domain | Descriptor: | ATPase GET3, Golgi to ER traffic protein 1, PHOSPHATE ION, ... | Authors: | Reitz, S, Wild, K, Sinning, I. | Deposit date: | 2011-06-21 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex. Science, 333, 2011
|
|
8AU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8au3 by Molmil](/molmil-images/mine/8au3) | c-MET Y1234E,Y1235E mutant in complex with Tepotinib | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ... | Authors: | Graedler, U, Lammens, A. | Deposit date: | 2022-08-25 | Release date: | 2023-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding. J.Biol.Chem., 299, 2023
|
|
8AW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aw1 by Molmil](/molmil-images/mine/8aw1) | c-MET Y1235D mutant in complex with Tepotinib | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor | Authors: | Graedler, U, Lammens, A. | Deposit date: | 2022-08-29 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding. J.Biol.Chem., 299, 2023
|
|
8AU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8au5 by Molmil](/molmil-images/mine/8au5) | c-MET F1200I mutant in complex with Tepotinib | Descriptor: | 1,2-ETHANEDIOL, 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, CHLORIDE ION, ... | Authors: | Graedler, U, Lammens, A. | Deposit date: | 2022-08-25 | Release date: | 2023-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding. J.Biol.Chem., 299, 2023
|
|
3SJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sjc by Molmil](/molmil-images/mine/3sjc) | |
3SJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sja by Molmil](/molmil-images/mine/3sja) | Crystal structure of S. cerevisiae Get3 in the open state in complex with Get1 cytosolic domain | Descriptor: | ATPase GET3, Golgi to ER traffic protein 1, PHOSPHATE ION, ... | Authors: | Reitz, S, Wild, K, Sinning, I. | Deposit date: | 2011-06-21 | Release date: | 2011-07-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex. Science, 333, 2011
|
|
3SJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sjd by Molmil](/molmil-images/mine/3sjd) | Crystal structure of S. cerevisiae Get3 with bound ADP-Mg2+ in complex with Get2 cytosolic domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase GET3, Golgi to ER traffic protein 2, ... | Authors: | Reitz, S, Wild, K, Sinning, I. | Deposit date: | 2011-06-21 | Release date: | 2011-07-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.6 Å) | Cite: | Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex. Science, 333, 2011
|
|
6TH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6th0 by Molmil](/molmil-images/mine/6th0) | Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | Deposit date: | 2019-11-18 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response. New Phytol., 228, 2020
|
|
8B5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b5b by Molmil](/molmil-images/mine/8b5b) | Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri) | Descriptor: | Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | Deposit date: | 2022-09-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8BC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bc6 by Molmil](/molmil-images/mine/8bc6) | |
8B5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b5c by Molmil](/molmil-images/mine/8b5c) | Human BRD4 bromdomain 1 in complex with a H4 peptide containing ApmTri (H4K5/8ApmTri) | Descriptor: | Bromodomain-containing protein 4, H4K5/8ApmTri | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | Deposit date: | 2022-09-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
8BC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bc7 by Molmil](/molmil-images/mine/8bc7) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex an aminoglutarimide degron peptide | Descriptor: | Cereblon isoform 4, PHE-PHE-GLU-GLN-MET-GLN-QCI, S-Thalidomide, ... | Authors: | Heim, C, Albrecht, R, Spring, A.K, Hartmann, M.D. | Deposit date: | 2022-10-15 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.719 Å) | Cite: | Identification and structural basis of C-terminal cyclic imides as natural degrons for cereblon. Biochem.Biophys.Res.Commun., 637, 2022
|
|
8B5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b5a by Molmil](/molmil-images/mine/8b5a) | Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri) | Descriptor: | Bromodomain-containing protein 3, H4K20ApmTri | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | Deposit date: | 2022-09-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
6TGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tgx by Molmil](/molmil-images/mine/6tgx) | Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue | Descriptor: | Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | Deposit date: | 2019-11-18 | Release date: | 2020-06-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response. New Phytol., 228, 2020
|
|
8C3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c3h by Molmil](/molmil-images/mine/8c3h) | |
3GW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gw6 by Molmil](/molmil-images/mine/3gw6) | Intramolecular Chaperone | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Schulz, E.C, Dickmanns, A, Ficner, R. | Deposit date: | 2009-03-31 | Release date: | 2010-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an intramolecular chaperone mediating triple-beta-helix folding. Nat.Struct.Mol.Biol., 17, 2010
|
|