5BPN
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5BN8
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5BX6
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5BN9
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5BX7
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![BU of 5bx7 by Molmil](/molmil-images/mine/5bx7) | PKA in complex with a benzothiophene fragment compound. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | Authors: | Narayanan, D, Alam, K.A, Engh, R.A. | Deposit date: | 2015-06-08 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PKA based studies of ligand interactions with a methionine gatekeeper. To Be Published
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5BPM
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4KUL
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![BU of 4kul by Molmil](/molmil-images/mine/4kul) | Crystal structure of N-terminal acetylated yeast Sir3 BAH domain V83P mutant | Descriptor: | Regulatory protein SIR3 | Authors: | Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M. | Deposit date: | 2013-05-22 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain. Nat.Struct.Mol.Biol., 20, 2013
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4KUI
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![BU of 4kui by Molmil](/molmil-images/mine/4kui) | Crystal structure of N-terminal acetylated yeast Sir3 BAH domain | Descriptor: | ACETIC ACID, ISOPROPYL ALCOHOL, Regulatory protein SIR3 | Authors: | Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M. | Deposit date: | 2013-05-22 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain. Nat.Struct.Mol.Biol., 20, 2013
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4KUD
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![BU of 4kud by Molmil](/molmil-images/mine/4kud) | Crystal structure of N-terminal acetylated Sir3 BAH domain D205N mutant in complex with yeast nucleosome core particle | Descriptor: | Histone H2A.2, Histone H2B.1, Histone H3, ... | Authors: | Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M. | Deposit date: | 2013-05-22 | Release date: | 2013-08-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.203 Å) | Cite: | N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain. Nat.Struct.Mol.Biol., 20, 2013
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6ZEZ
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6ZF8
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![BU of 6zf8 by Molmil](/molmil-images/mine/6zf8) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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7LWD
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![BU of 7lwd by Molmil](/molmil-images/mine/7lwd) | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ... | Authors: | Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J. | Deposit date: | 2021-03-01 | Release date: | 2021-08-11 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter. Nat Commun, 12, 2021
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6DZZ
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![BU of 6dzz by Molmil](/molmil-images/mine/6dzz) | Cryo-EM Structure of the wild-type human serotonin transporter in complex with ibogaine and 15B8 Fab in the inward conformation | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | Authors: | Yang, D, Coleman, J.A, Gouaux, E. | Deposit date: | 2018-07-05 | Release date: | 2019-04-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature, 569, 2019
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7O1F
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7O1E
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![BU of 7o1e by Molmil](/molmil-images/mine/7o1e) | Crystal structure of PCNA from Chaetomium thermophilum | Descriptor: | Proliferating cell nuclear antigen | Authors: | Alphey, M.A, MacNeill, S, Yang, D. | Deposit date: | 2021-03-29 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Non-canonical binding of the Chaetomium thermophilum PolD4 N-terminal PIP motif to PCNA involves Q-pocket and compact 2-fork plug interactions but no 3 10 helix. Febs J., 290, 2023
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6ZF6
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![BU of 6zf6 by Molmil](/molmil-images/mine/6zf6) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF5
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![BU of 6zf5 by Molmil](/molmil-images/mine/6zf5) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZEY
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6ZEW
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![BU of 6zew by Molmil](/molmil-images/mine/6zew) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | 7-methoxy-1~{H}-benzotriazole, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZEX
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![BU of 6zex by Molmil](/molmil-images/mine/6zex) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF1
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![BU of 6zf1 by Molmil](/molmil-images/mine/6zf1) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF4
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![BU of 6zf4 by Molmil](/molmil-images/mine/6zf4) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF2
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![BU of 6zf2 by Molmil](/molmil-images/mine/6zf2) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF7
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![BU of 6zf7 by Molmil](/molmil-images/mine/6zf7) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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6ZF3
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![BU of 6zf3 by Molmil](/molmil-images/mine/6zf3) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2020-06-16 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
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