8OY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oy3 by Molmil](/molmil-images/mine/8oy3) | Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (3 picosecond pump-probe delay) | Descriptor: | COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C. | Deposit date: | 2023-05-03 | Release date: | 2023-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Time-resolved crystallography captures light-driven DNA repair. Science, 382, 2023
|
|
8OY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oy7 by Molmil](/molmil-images/mine/8oy7) | Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (10 nanosecond pump-probe delay) | Descriptor: | COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C. | Deposit date: | 2023-05-03 | Release date: | 2023-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Time-resolved crystallography captures light-driven DNA repair. Science, 382, 2023
|
|
8OY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oy4 by Molmil](/molmil-images/mine/8oy4) | Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (300 ps pump-probe delay) | Descriptor: | COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C. | Deposit date: | 2023-05-03 | Release date: | 2023-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Time-resolved crystallography captures light-driven DNA repair. Science, 382, 2023
|
|
8OYB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oyb by Molmil](/molmil-images/mine/8oyb) | Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (30 microsecond pump-probe delay) | Descriptor: | COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C. | Deposit date: | 2023-05-03 | Release date: | 2023-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Time-resolved crystallography captures light-driven DNA repair. Science, 382, 2023
|
|
5JMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jmx by Molmil](/molmil-images/mine/5jmx) | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | Descriptor: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | Deposit date: | 2016-04-29 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
|
|
5FO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fo2 by Molmil](/molmil-images/mine/5fo2) | Structure of human transthyretin mutant A108I | Descriptor: | TRANSTHYRETIN | Authors: | Varejao, N, Santanna, R, Saraiva, M.J, Gallego, P, Ventura, S, Reverter, D. | Deposit date: | 2015-11-17 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation. Sci Rep, 7, 2017
|
|
6APU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6apu by Molmil](/molmil-images/mine/6apu) | Crystal structure of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltranferase in complex with (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid | Descriptor: | (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, ... | Authors: | Teran, D, Guddat, L. | Deposit date: | 2017-08-18 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery. PLoS Negl Trop Dis, 12, 2018
|
|
6AQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aqo by Molmil](/molmil-images/mine/6aqo) | Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) | Authors: | Teran, D, Gudday, L.W. | Deposit date: | 2017-08-21 | Release date: | 2018-03-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery. PLoS Negl Trop Dis, 12, 2018
|
|
2VJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vj6 by Molmil](/molmil-images/mine/2vj6) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
|
|
2WPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wpa by Molmil](/molmil-images/mine/2wpa) | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | Authors: | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | Deposit date: | 2009-08-03 | Release date: | 2010-02-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem., 18, 2010
|
|
6W05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w05 by Molmil](/molmil-images/mine/6w05) | |
5MQX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mqx by Molmil](/molmil-images/mine/5mqx) | NMR solution structure of macro domain from Venezuelan equine encephalitis virus(VEEV) in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein3 | Authors: | Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Matsoukas, M.T, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A. | Deposit date: | 2016-12-21 | Release date: | 2018-07-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose. J.Struct.Biol., 206, 2019
|
|
1YR6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yr6 by Molmil](/molmil-images/mine/1yr6) | |
1YRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yrj by Molmil](/molmil-images/mine/1yrj) | Crystal Structure of Apramycin bound to a Ribosomal RNA A site oligonucleotide | Descriptor: | APRAMYCIN, Bacterial 16 S Ribosomal RNA A Site Oligonucleotide, MAGNESIUM ION, ... | Authors: | Han, Q, Zhao, Q, Fish, S, Simonsen, K.B, Vourloumis, D, Froelich, J.M, Wall, D, Hermann, T. | Deposit date: | 2005-02-03 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular recognition by glycoside pseudo base pairs and triples in an apramycin-RNA complex. Angew.Chem.Int.Ed.Engl., 44, 2005
|
|
6MXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mxd by Molmil](/molmil-images/mine/6mxd) | |
5I04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i04 by Molmil](/molmil-images/mine/5i04) | Crystal structure of the orphan region of human endoglin/CD105 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ... | Authors: | Saito, T, Bokhove, M, de Sanctis, D, Jovine, L. | Deposit date: | 2016-02-03 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1. Cell Rep, 19, 2017
|
|
5IA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ia4 by Molmil](/molmil-images/mine/5ia4) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
|
|
1YR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yr9 by Molmil](/molmil-images/mine/1yr9) | PAB0955 crystal structure : a GTPase in GDP and PO4 bound form from Pyrococcus abyssi | Descriptor: | ATP(GTP)binding protein, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Gras, S, Carpentier, P, Armengaud, J, Housset, D. | Deposit date: | 2005-02-03 | Release date: | 2006-02-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into a new homodimeric self-activated GTPase family. Embo Rep., 8, 2007
|
|
1YR7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yr7 by Molmil](/molmil-images/mine/1yr7) | PAB0955 crystal structure : a GTPase in GTP-gamma-S bound form from Pyrococcus abyssi | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ATP(GTP)binding protein | Authors: | Gras, S, Carpentier, P, Armengaud, J, Housset, D. | Deposit date: | 2005-02-03 | Release date: | 2006-02-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural insights into a new homodimeric self-activated GTPase family. Embo Rep., 8, 2007
|
|
2VJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vj9 by Molmil](/molmil-images/mine/2vj9) | Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | Deposit date: | 2007-12-07 | Release date: | 2008-01-29 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
|
|
1Z1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z1m by Molmil](/molmil-images/mine/1z1m) | NMR structure of unliganded MDM2 | Descriptor: | Ubiquitin-protein ligase E3 Mdm2 | Authors: | Uhrinova, S, Uhrin, D, Powers, H, Watt, K, Zheleva, D, Fischer, P, McInnes, C, Barlow, P.N. | Deposit date: | 2005-03-04 | Release date: | 2005-06-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of Free MDM2 N-terminal Domain Reveals Conformational Adjustments that Accompany p53-binding J.Mol.Biol., 350, 2005
|
|
7WVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wvm by Molmil](/molmil-images/mine/7wvm) | The complex structure of PD-1 and cemiplimab | Descriptor: | Heavy Chain of Cemiplimab, Light Chain of Cemiplimab, Programmed cell death protein 1 | Authors: | Lu, D, Xu, Z.P, Liu, K.F, Tan, S.G, Gao, G.F, Chai, Y. | Deposit date: | 2022-02-10 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | PD-1 N58-Glycosylation-Dependent Binding of Monoclonal Antibody Cemiplimab for Immune Checkpoint Therapy. Front Immunol, 13, 2022
|
|
6XYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xye by Molmil](/molmil-images/mine/6xye) | |
6TUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tua by Molmil](/molmil-images/mine/6tua) | The RYK Pseudokinase Domain | Descriptor: | SULFATE ION, Tyrosine-protein kinase RYK | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2020-01-04 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases. Mol.Cell, 79, 2020
|
|
1YBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ybx by Molmil](/molmil-images/mine/1ybx) | Conserved hypothetical protein Cth-383 from Clostridium thermocellum | Descriptor: | Conserved hypothetical protein, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Chang, J, Zhao, M, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-21 | Release date: | 2005-02-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conserved hypothetical protein Cth-383 from Clostridium thermocellum To be published
|
|