7S8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s8z by Molmil](/molmil-images/mine/7s8z) | |
7S9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9g by Molmil](/molmil-images/mine/7s9g) | Room-temperature Human Hsp90a-NTD bound to BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7S9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9f by Molmil](/molmil-images/mine/7s9f) | Cryogenic Human Hsp90a-NTD bound to BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7S95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s95 by Molmil](/molmil-images/mine/7s95) | Room-temperature Human Hsp90a-NTD bound to adenine | Descriptor: | ADENINE, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7S9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9i by Molmil](/molmil-images/mine/7s9i) | Room-temperature Human Hsp90a-NTD bound to EC144 | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7S9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9h by Molmil](/molmil-images/mine/7s9h) | Cryogenic Human Hsp90a-NTD bound to EC144 | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7S98
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s98 by Molmil](/molmil-images/mine/7s98) | Cryogenic Human Hsp90a-NTD bound to N6M | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7S90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s90 by Molmil](/molmil-images/mine/7s90) | Cryogenic Human Hsp90a-NTD bound to adenine | Descriptor: | ADENINE, Heat shock protein HSP 90-alpha | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7S8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s8y by Molmil](/molmil-images/mine/7s8y) | |
7S99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s99 by Molmil](/molmil-images/mine/7s99) | Room-temperature Human Hsp90a-NTD bound to N6M | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
4W2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w2r by Molmil](/molmil-images/mine/4w2r) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
|
|
6YX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yx0 by Molmil](/molmil-images/mine/6yx0) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
|
|
6YWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ywz by Molmil](/molmil-images/mine/6ywz) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ARGININE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
|
|
6YX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yx1 by Molmil](/molmil-images/mine/6yx1) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid, ARGININE, LEUCINE, ... | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
|
|
6YX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yx2 by Molmil](/molmil-images/mine/6yx2) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | Descriptor: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | Deposit date: | 2020-04-30 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
|
|
7TO2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7to2 by Molmil](/molmil-images/mine/7to2) | |
7TNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tnx by Molmil](/molmil-images/mine/7tnx) | Cryo-EM structure of RIG-I in complex with p3dsRNA | Descriptor: | Antiviral innate immune response receptor RIG-I, ZINC ION, p3dsRNAa, ... | Authors: | Wang, W, Pyle, A.M. | Deposit date: | 2022-01-22 | Release date: | 2022-11-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands. Mol.Cell, 82, 2022
|
|
7TO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7to1 by Molmil](/molmil-images/mine/7to1) | Cryo-EM structure of RIG-I bound to the end of p3SLR30 (+ATP) | Descriptor: | Antiviral innate immune response receptor RIG-I, ZINC ION, p3SLR30 | Authors: | Wang, W, Pyle, A.M. | Deposit date: | 2022-01-22 | Release date: | 2022-11-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands. Mol.Cell, 82, 2022
|
|
7TO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7to0 by Molmil](/molmil-images/mine/7to0) | Cryo-EM structure of RIG-I in complex with OHdsRNA | Descriptor: | Antiviral innate immune response receptor RIG-I, OHdsRNA, ZINC ION | Authors: | Wang, W, Pyle, A.M. | Deposit date: | 2022-01-22 | Release date: | 2022-11-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands. Mol.Cell, 82, 2022
|
|
7TNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tnz by Molmil](/molmil-images/mine/7tnz) | Cryo-EM structure of RIG-I in complex with p1dsRNA | Descriptor: | Antiviral innate immune response receptor RIG-I, ZINC ION, p1dsRNA | Authors: | Wang, W, Pyle, A.M. | Deposit date: | 2022-01-22 | Release date: | 2022-11-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands. Mol.Cell, 82, 2022
|
|
3NH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nh7 by Molmil](/molmil-images/mine/3nh7) | Crystal structure of the neutralizing Fab fragment AbD1556 bound to the BMP type I receptor IA | Descriptor: | Antibody fragment Fab AbD1556, heavy chain, light chain, ... | Authors: | Mueller, T.D, Harth, S, Sebald, W. | Deposit date: | 2010-06-14 | Release date: | 2010-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A selection fit mechanism in BMP receptor IA as a possible source for BMP ligand-receptor promiscuity Plos One, 5, 2010
|
|
7TNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tny by Molmil](/molmil-images/mine/7tny) | Cryo-EM structure of RIG-I in complex with p2dsRNA | Descriptor: | Antiviral innate immune response receptor RIG-I, ZINC ION, p2dsRNA | Authors: | Wang, W, Pyle, A.M. | Deposit date: | 2022-01-22 | Release date: | 2022-11-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands. Mol.Cell, 82, 2022
|
|
1LT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lt9 by Molmil](/molmil-images/mine/1lt9) | Crystal Structure of Recombinant Human Fibrinogen Fragment D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen alpha/alpha-E chain, ... | Authors: | Kostelansky, M.S, Betts, L, Gorkun, O.V, Lord, S.T. | Deposit date: | 2002-05-20 | Release date: | 2002-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2.8 A Crystal Structures of Recombinant Fibrinogen Fragment D with and without Two Peptide Ligands: GHRP Binding to the "b" Site Disrupts Its Nearby Calcium-binding Site. Biochemistry, 41, 2002
|
|
6BYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6byh by Molmil](/molmil-images/mine/6byh) | |
3JZB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jzb by Molmil](/molmil-images/mine/3jzb) | Crystal Structure of TR-alfa bound to the selective thyromimetic TRIAC | Descriptor: | THRA protein, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | Authors: | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R. | Deposit date: | 2009-09-23 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Gaining ligand selectivity in thyroid hormone receptors via entropy. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|