6BOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6boy by Molmil](/molmil-images/mine/6boy) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC. | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide, Bromodomain-containing protein 4, DNA damage-binding protein 1, ... | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | Deposit date: | 2017-11-21 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
|
|
2WFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wfj by Molmil](/molmil-images/mine/2wfj) | Atomic resolution crystal structure of the PPIase domain of human cyclophilin G in complex with cyclosporin A. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CYCLOSPORIN A, ... | Authors: | Stegmann, C.M, Sheldrick, G.M, Wahl, M.C. | Deposit date: | 2009-04-06 | Release date: | 2009-06-16 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (0.75 Å) | Cite: | The Thermodynamic Influence of Trapped Water Molecules on a Protein-Ligand Interaction. Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
3EDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3edu by Molmil](/molmil-images/mine/3edu) | Crystal structure of the ankyrin-binding domain of human erythroid spectrin | Descriptor: | Spectrin beta chain, erythrocyte | Authors: | Simonovic, M, Stabach, P, Simonovic, I, Steitz, T.A, Morrow, J.S. | Deposit date: | 2008-09-03 | Release date: | 2009-02-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of the ankyrin-binding site of {beta}-spectrin reveals how tandem spectrin-repeats generate unique ligand-binding properties Blood, 113, 2009
|
|
3KFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kfj by Molmil](/molmil-images/mine/3kfj) | |
2J80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j80 by Molmil](/molmil-images/mine/2j80) | Structure of Citrate-bound Periplasmic Domain of Sensor Histidine Kinase CitA | Descriptor: | CITRATE ANION, GLYCEROL, SENSOR KINASE CITA, ... | Authors: | Sevvana, M, Vijayan, V, Zweckstetter, M, Reinelt, S, Madden, D.R, Sheldrick, G.M, Bott, M, Griesinger, C, Becker, S. | Deposit date: | 2006-10-18 | Release date: | 2007-10-23 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Ligand-Induced Switch in the Periplasmic Domain of Sensor Histidine Kinase Cita. J.Mol.Biol., 377, 2008
|
|
3EUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eum by Molmil](/molmil-images/mine/3eum) | A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6066 | Descriptor: | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION | Authors: | Campbell, N.H, Parkinson, G, Neidle, S. | Deposit date: | 2008-10-10 | Release date: | 2008-10-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry, 48, 2009
|
|
6BN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bn8 by Molmil](/molmil-images/mine/6bn8) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC. | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | Deposit date: | 2017-11-16 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.990035 Å) | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
|
|
3E5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e5k by Molmil](/molmil-images/mine/3e5k) | Crystal structure of CYP105P1 wild-type 4-phenylimidazole complex | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | Deposit date: | 2008-08-14 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state J.Bacteriol., 191, 2009
|
|
4IL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4il6 by Molmil](/molmil-images/mine/4il6) | Structure of Sr-substituted photosystem II | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R. | Deposit date: | 2012-12-29 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3E5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e5l by Molmil](/molmil-images/mine/3e5l) | Crystal structure of CYP105P1 H72A mutant | Descriptor: | Cytochrome P450 (Cytochrome P450 hydroxylase), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xu, L.H, Fushinobu, S, Ikeda, H, Wakagi, T, Shoun, H. | Deposit date: | 2008-08-14 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of cytochrome P450 105P1 from Streptomyces avermitilis: conformational flexibility and histidine ligation state J.Bacteriol., 191, 2009
|
|
7T7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t7z by Molmil](/molmil-images/mine/7t7z) | The crystal structure of family 8 carbohydrate-binding module from Dictyostelium discoideum | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Endoglucanase, ... | Authors: | Marcelo, M.V, Campos, B.M, Squina, F.M. | Deposit date: | 2021-12-15 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Unique properties of a Dictyostelium discoideum carbohydrate-binding module expand our understanding of CBM-ligand interactions. J.Biol.Chem., 298, 2022
|
|
7T7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t7y by Molmil](/molmil-images/mine/7t7y) | |
1JH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jh4 by Molmil](/molmil-images/mine/1jh4) | Solution structure of the C-terminal PABC domain of human poly(A)-binding protein in complex with the peptide from Paip1 | Descriptor: | polyadenylate-binding protein 1, polyadenylate-binding protein-interacting protein-1 | Authors: | Kozlov, G, Siddiqui, N, Coillet-Matillon, S, Ekiel, I, Gehring, K. | Deposit date: | 2001-06-27 | Release date: | 2003-06-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis of ligand recognition by PABC, a highly specific peptide-binding domain found in poly(A)-binding protein and a HECT ubiquitin ligase EMBO J., 23, 2004
|
|
5KAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kaf by Molmil](/molmil-images/mine/5kaf) | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2016-06-01 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.00001 Å) | Cite: | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
|
|
5KAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kai by Molmil](/molmil-images/mine/5kai) | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2016-06-01 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.80000925 Å) | Cite: | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
|
|
6IPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ipz by Molmil](/molmil-images/mine/6ipz) | Fyn SH3 domain R96W mutant, crystallized with 18-crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn | Authors: | Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F. | Deposit date: | 2018-11-05 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.576 Å) | Cite: | Synergy and allostery in ligand binding by HIV-1 Nef. Biochem.J., 478, 2021
|
|
1JW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jw5 by Molmil](/molmil-images/mine/1jw5) | |
6JLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jlp by Molmil](/molmil-images/mine/6jlp) | XFEL structure of cyanobacterial photosystem II (3F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
|
|
6YQJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yqj by Molmil](/molmil-images/mine/6yqj) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium (soaked) | Descriptor: | 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-17 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
|
|
6YNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yna by Molmil](/molmil-images/mine/6yna) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77, soaked) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-13 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
|
|
6YQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yqk by Molmil](/molmil-images/mine/6yqk) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative (soaked) | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-17 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
|
|
3QO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qo0 by Molmil](/molmil-images/mine/3qo0) | |
2W87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w87 by Molmil](/molmil-images/mine/2w87) | Xyl-CBM35 in complex with glucuronic acid containing disaccharide. | Descriptor: | CALCIUM ION, ESTERASE D, UNKNOWN LIGAND, ... | Authors: | Montainer, C, Bueren, A.L.v, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2009-01-14 | Release date: | 2009-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2W29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w29 by Molmil](/molmil-images/mine/2w29) | Gly102Thr mutant of Rv3291c | Descriptor: | PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN | Authors: | Shrivastava, T, Dey, S, Ravishankar, R. | Deposit date: | 2008-10-25 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Ligand-Induced Structural Transitions, Mutational Analysis, and 'Open' Quaternary Structure of the M. Tuberculosis Feast/Famine Regulatory Protein (Rv3291C). J.Mol.Biol., 392, 2009
|
|
2W25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w25 by Molmil](/molmil-images/mine/2w25) | Crystal structure of Glu104Ala mutant | Descriptor: | PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN | Authors: | Shrivastava, T, RAmachandran, R. | Deposit date: | 2008-10-24 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Ligand-Induced Structural Transitions, Mutational Analysis, and 'Open' Quaternary Structure of the M. Tuberculosis Feast/Famine Regulatory Protein (Rv3291C). J.Mol.Biol., 392, 2009
|
|