6UNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ung by Molmil](/molmil-images/mine/6ung) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-10-11 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
|
|
6T3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3q by Molmil](/molmil-images/mine/6t3q) | Thrombin in Complex with a D-Phe-Pro-2-aminopyridine derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Ngo, K, Collins, C, Heine, A, Klebe, G. | Deposit date: | 2019-10-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
|
|
6T40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t40 by Molmil](/molmil-images/mine/6t40) | Bovine enterovirus F3 in complex with a Cysteinylglycine dipeptide | Descriptor: | CHLORIDE ION, CYSTEINE, GLYCEROL, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | Deposit date: | 2019-10-11 | Release date: | 2020-08-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
|
|
6T3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3m by Molmil](/molmil-images/mine/6t3m) | Thrombin in Complex with a D-Phe-Pro-p-phenol derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | Authors: | Ngo, K, Collins, C, Heine, A, Klebe, G. | Deposit date: | 2019-10-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Thrombin in Complex with a D-Phe-Pro-p-phenol derivative To Be Published
|
|
6T42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t42 by Molmil](/molmil-images/mine/6t42) | |
6T41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t41 by Molmil](/molmil-images/mine/6t41) | CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Schneider, E.V, Maskos, K, Huber, R, Kuhn, C.-D. | Deposit date: | 2019-10-11 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A precisely positioned MED12 activation helix stimulates CDK8 kinase activity. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6T3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3j by Molmil](/molmil-images/mine/6t3j) | Dual Epitope Targeting by Anti-DR5 Antibodies | Descriptor: | IgG1-hDR5-01-Heavy Chain, IgG1-hDR5-01-Light Chain, IgG1-hDR5-05-Heavy Chain, ... | Authors: | Tauchert, M.J, Augustin, M, Krapp, S, Overdijk, M.B, Breij, E.C.W, Hibbert, R.G. | Deposit date: | 2019-10-11 | Release date: | 2020-09-16 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Dual Epitope Targeting and Enhanced Hexamerization by DR5 Antibodies as a Novel Approach to Induce Potent Antitumor Activity Through DR5 Agonism. Mol.Cancer Ther., 19, 2020
|
|
6UNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uni by Molmil](/molmil-images/mine/6uni) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-10-11 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
|
|
6UNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6une by Molmil](/molmil-images/mine/6une) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-10-11 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
|
|
6UNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6unh by Molmil](/molmil-images/mine/6unh) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-10-11 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
|
|
6UNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6una by Molmil](/molmil-images/mine/6una) | Crystal structure of inactive p38gamma | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 12, SULFATE ION | Authors: | Aoto, P.C, Stanfield, R.L, Wilson, I.A, Dyson, H.J, Wright, P.E. | Deposit date: | 2019-10-11 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | A Dynamic Switch in Inactive p38 gamma Leads to an Excited State on the Pathway to an Active Kinase. Biochemistry, 58, 2019
|
|
6UMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umx by Molmil](/molmil-images/mine/6umx) | Structural basis for specific inhibition of extracellular activation of pro/latent myostatin by SRK-015 | Descriptor: | GL29H4-16 Fab Heavy Chain,GL29H4-16 Fab Heavy Chain, GL29H4-16 Fab Light Chain,GL29H4-16 Fab Light Chain, GLYCEROL, ... | Authors: | Dagbay, K.B, Treece, E, Streich Jr, F.C, Jackson, J.W, Faucette, R.R, Nikiforov, A, Lin, S.C, Bostion, C.J, Nicholls, S.B, Capili, A.D, Carven, G.J. | Deposit date: | 2019-10-10 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis of specific inhibition of extracellular activation of pro- or latent myostatin by the monoclonal antibody SRK-015. J.Biol.Chem., 295, 2020
|
|
6L3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l3a by Molmil](/molmil-images/mine/6l3a) | Cytochrome P450 107G1 (RapN) with everolimus | Descriptor: | Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | Deposit date: | 2019-10-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus. Arch.Biochem.Biophys., 692, 2020
|
|
6L39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l39 by Molmil](/molmil-images/mine/6l39) | Cytochrome P450 107G1 (RapN) | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W. | Deposit date: | 2019-10-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus. Arch.Biochem.Biophys., 692, 2020
|
|
6UML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uml by Molmil](/molmil-images/mine/6uml) | Structural Basis for Thalidomide Teratogenicity Revealed by the Cereblon-DDB1-SALL4-Pomalidomide Complex | Descriptor: | DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | Authors: | Clayton, T.L, Matyskiela, M.E, Pagarigan, B.E, Tran, E.T, Chamberlain, P.P. | Deposit date: | 2019-10-09 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Crystal structure of the SALL4-pomalidomide-cereblon-DDB1 complex. Nat.Struct.Mol.Biol., 27, 2020
|
|
6T2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t2t by Molmil](/molmil-images/mine/6t2t) | Crystal structure of Drosophila melanogaster glutathione S-transferase epsilon 14 in complex with glutathione and 2-methyl-2,4-pentanediol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase E14 | Authors: | Skerlova, J, Lindstrom, H, Sjodin, B, Gonis, E, Neiers, F, Mannervik, B, Stenmark, P. | Deposit date: | 2019-10-09 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure and steroid isomerase activity of Drosophila glutathione transferase E14 essential for ecdysteroid biosynthesis. Febs Lett., 594, 2020
|
|
6UMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umk by Molmil](/molmil-images/mine/6umk) | Structure of E. coli FtsZ(L178E)-GDP complex | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Schumacher, M.A. | Deposit date: | 2019-10-09 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP. Acta Crystallogr.,Sect.F, 76, 2020
|
|
6UM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6um2 by Molmil](/molmil-images/mine/6um2) | Structure of M-6-P/IGFII Receptor and IGFII complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, Insulin-like growth factor II | Authors: | Wang, R, Qi, X, Li, X. | Deposit date: | 2019-10-08 | Release date: | 2020-02-26 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Marked structural rearrangement of mannose 6-phosphate/IGF2 receptor at different pH environments Sci Adv, 6, 2020
|
|
6ULM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ulm by Molmil](/molmil-images/mine/6ulm) | Crystal structure of human cadherin 17 EC1-2 | Descriptor: | CALCIUM ION, Cadherin-17 | Authors: | Gray, M.E, Sotomayor, M. | Deposit date: | 2019-10-08 | Release date: | 2021-03-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the nonclassical cadherin-17 N-terminus and implications for its adhesive binding mechanism. Acta Crystallogr.,Sect.F, 77, 2021
|
|
6T28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t28 by Molmil](/molmil-images/mine/6t28) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
|
|
6T29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t29 by Molmil](/molmil-images/mine/6t29) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.484 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
|
|
6UM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6um1 by Molmil](/molmil-images/mine/6um1) | Structure of M-6-P/IGFII Receptor at pH 4.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, ... | Authors: | Wang, R, Qi, X, Li, X. | Deposit date: | 2019-10-08 | Release date: | 2020-02-26 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Marked structural rearrangement of mannose 6-phosphate/IGF2 receptor at different pH environments Sci Adv, 6, 2020
|
|
6T20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t20 by Molmil](/molmil-images/mine/6t20) | Cryo-EM structure of phalloidin-stabilized F-actin (aged) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Pospich, S, Merino, F, Raunser, S. | Deposit date: | 2019-10-07 | Release date: | 2020-03-04 | Last modified: | 2020-04-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments. Structure, 28, 2020
|
|
6T1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t1y by Molmil](/molmil-images/mine/6t1y) | Cryo-EM structure of phalloidin-stabilized F-actin (copolymerized) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Pospich, S, Merino, F, Raunser, S. | Deposit date: | 2019-10-07 | Release date: | 2020-03-04 | Last modified: | 2020-04-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments. Structure, 28, 2020
|
|
6T25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t25 by Molmil](/molmil-images/mine/6t25) | Cryo-EM structure of phalloidin-Alexa Flour-546-stabilized F-actin (copolymerized) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Pospich, S, Merino, F, Raunser, S. | Deposit date: | 2019-10-07 | Release date: | 2020-03-04 | Last modified: | 2020-04-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments. Structure, 28, 2020
|
|