8DNY
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![BU of 8dny by Molmil](/molmil-images/mine/8dny) | Cryo-EM structure of the human Sec61 complex inhibited by decatransin | Descriptor: | Decatransin peptide inhibitor, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | Authors: | Park, E, Itskanov, S. | Deposit date: | 2022-07-12 | Release date: | 2023-05-24 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | A common mechanism of Sec61 translocon inhibition by small molecules. Nat.Chem.Biol., 19, 2023
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4C74
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![BU of 4c74 by Molmil](/molmil-images/mine/4c74) | Phenylacetone monooxygenase: Reduced enzyme in complex with APADP | Descriptor: | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, ... | Authors: | Martinoli, C, Fraaije, M.W, Mattevi, A. | Deposit date: | 2013-09-19 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Beyond the Protein Matrix: Probing Cofactor Variants in a Baeyer-Villiger Oxygenation Reaction. Acs Catal., 3, 2013
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8DNZ
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![BU of 8dnz by Molmil](/molmil-images/mine/8dnz) | Cryo-EM structure of the human Sec61 complex inhibited by apratoxin F | Descriptor: | Apratoxin F peptide inhibitor, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | Authors: | Park, E, Itskanov, S. | Deposit date: | 2022-07-12 | Release date: | 2023-05-24 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | A common mechanism of Sec61 translocon inhibition by small molecules. Nat.Chem.Biol., 19, 2023
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8E5V
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![BU of 8e5v by Molmil](/molmil-images/mine/8e5v) | |
8DO3
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![BU of 8do3 by Molmil](/molmil-images/mine/8do3) | Cryo-EM structure of the human Sec61 complex inhibited by eeyarestatin I | Descriptor: | N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | Authors: | Park, E, Itskanov, S. | Deposit date: | 2022-07-12 | Release date: | 2023-05-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | A common mechanism of Sec61 translocon inhibition by small molecules. Nat.Chem.Biol., 19, 2023
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8DNX
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![BU of 8dnx by Molmil](/molmil-images/mine/8dnx) | Cryo-EM structure of the human Sec61 complex inhibited by cotransin | Descriptor: | Cotransin analogue peptide inhibitor, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | Authors: | Park, E, Itskanov, S. | Deposit date: | 2022-07-12 | Release date: | 2023-05-24 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | A common mechanism of Sec61 translocon inhibition by small molecules. Nat.Chem.Biol., 19, 2023
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8DWX
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![BU of 8dwx by Molmil](/molmil-images/mine/8dwx) | |
8DXI
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![BU of 8dxi by Molmil](/molmil-images/mine/8dxi) | HIV-1 reverse transcriptase/rilpivirine with bound fragment [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol at multiple sites | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8EC0
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![BU of 8ec0 by Molmil](/molmil-images/mine/8ec0) | III2IV respiratory supercomplex from Saccharomyces cerevisiae cardiolipin-lacking mutant | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ... | Authors: | Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W. | Deposit date: | 2022-08-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex. Nat Commun, 14, 2023
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8DXK
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![BU of 8dxk by Molmil](/molmil-images/mine/8dxk) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromopyrazole at multiple sites | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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4CFT
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![BU of 4cft by Molmil](/molmil-images/mine/4cft) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-11-19 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem., 57, 2014
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8DWY
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![BU of 8dwy by Molmil](/molmil-images/mine/8dwy) | |
8DNV
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8DTB
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![BU of 8dtb by Molmil](/molmil-images/mine/8dtb) | |
8DNW
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![BU of 8dnw by Molmil](/molmil-images/mine/8dnw) | |
8DXG
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![BU of 8dxg by Molmil](/molmil-images/mine/8dxg) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-(trifluoromethyl)pyridin-2-ol at W24 site | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-(trifluoromethyl)pyridin-2-one, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DO0
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![BU of 8do0 by Molmil](/molmil-images/mine/8do0) | Cryo-EM structure of the human Sec61 complex inhibited by mycolactone | Descriptor: | Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, Protein transport protein Sec61 subunit gamma, ... | Authors: | Park, E, Itskanov, S. | Deposit date: | 2022-07-12 | Release date: | 2023-05-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | A common mechanism of Sec61 translocon inhibition by small molecules. Nat.Chem.Biol., 19, 2023
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8DO1
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![BU of 8do1 by Molmil](/molmil-images/mine/8do1) | Cryo-EM structure of the human Sec61 complex inhibited by ipomoeassin F | Descriptor: | Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, Protein transport protein Sec61 subunit gamma, ... | Authors: | Park, E, Itskanov, S. | Deposit date: | 2022-07-12 | Release date: | 2023-05-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | A common mechanism of Sec61 translocon inhibition by small molecules. Nat.Chem.Biol., 19, 2023
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8DO2
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![BU of 8do2 by Molmil](/molmil-images/mine/8do2) | Cryo-EM structure of the human Sec61 complex inhibited by cyclotriazadisulfonamide (CADA) | Descriptor: | 9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | Authors: | Park, E, Itskanov, S. | Deposit date: | 2022-07-12 | Release date: | 2023-05-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | A common mechanism of Sec61 translocon inhibition by small molecules. Nat.Chem.Biol., 19, 2023
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8DXL
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![BU of 8dxl by Molmil](/molmil-images/mine/8dxl) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-iodopyrazole at multiple sites | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8E7S
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![BU of 8e7s by Molmil](/molmil-images/mine/8e7s) | III2IV2 respiratory supercomplex from Saccharomyces cerevisiae with 4 bound UQ6 | Descriptor: | (5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ... | Authors: | Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W. | Deposit date: | 2022-08-24 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex. Nat Commun, 14, 2023
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8DX2
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![BU of 8dx2 by Molmil](/molmil-images/mine/8dx2) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-amino-3-bromopyridine at multiple sites | Descriptor: | 1,2-ETHANEDIOL, 3-bromopyridin-4-amine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DX3
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![BU of 8dx3 by Molmil](/molmil-images/mine/8dx3) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 3-bromobenzylamine in the thumb subdomain | Descriptor: | 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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6U64
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![BU of 6u64 by Molmil](/molmil-images/mine/6u64) | Mcl-1 bound to compound 17 | Descriptor: | 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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8DXE
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![BU of 8dxe by Molmil](/molmil-images/mine/8dxe) | HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-amino-6-fluorobenzonitrile at the NNRTI adjacent site | Descriptor: | 1,2-ETHANEDIOL, 2-amino-6-fluorobenzonitrile, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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