7L2P
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![BU of 7l2p by Molmil](/molmil-images/mine/7l2p) | cryo-EM structure of unliganded minimal TRPV1 | Descriptor: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2020-12-17 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7T58
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![BU of 7t58 by Molmil](/molmil-images/mine/7t58) | Crystal structure of Miz1 BTB domain | Descriptor: | DIMETHYL SULFOXIDE, Zinc finger and BTB domain-containing protein 17 | Authors: | Linhares, B.M, Cierpicki, T. | Deposit date: | 2021-12-11 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05333114 Å) | Cite: | Prediction of BTB domain ligandability guided by protein dynamics To Be Published
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6R2H
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![BU of 6r2h by Molmil](/molmil-images/mine/6r2h) | Crystal structure of Apo PinO from Porphyromonas gingivitis | Descriptor: | GLYCEROL, HmuY protein | Authors: | Antonyuk, S.V, Bielecki, M, Strange, R.W, Capper, M, Olczak, T, Olczak, M. | Deposit date: | 2019-03-17 | Release date: | 2020-01-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Prevotella intermedia produces two proteins homologous to Porphyromonas gingivalis HmuY but with different heme coordination mode. Biochem.J., 477, 2020
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6WJ6
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![BU of 6wj6 by Molmil](/molmil-images/mine/6wj6) | Cryo-EM structure of apo-Photosystem II from Synechocystis sp. PCC 6803 | 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: | Gisriel, C.J. | Deposit date: | 2020-04-12 | Release date: | 2020-08-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Cryo-EM Structure of Monomeric Photosystem II from Synechocystis sp. PCC 6803 Lacking the Water-Oxidation Complex Joule, 2020
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6X47
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![BU of 6x47 by Molmil](/molmil-images/mine/6x47) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ649), a Non-nucleoside Inhibitor | Descriptor: | 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-05-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.767 Å) | Cite: | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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6X4E
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![BU of 6x4e by Molmil](/molmil-images/mine/6x4e) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with methyl 2-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acetate (JLJ681), a Non-nucleoside Inhibitor | Descriptor: | Reverse transcriptase/ribonuclease H, SULFATE ION, methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate, ... | Authors: | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-05-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site. Protein Sci., 29, 2020
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7TEK
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![BU of 7tek by Molmil](/molmil-images/mine/7tek) | |
7TEL
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![BU of 7tel by Molmil](/molmil-images/mine/7tel) | |
7BVT
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![BU of 7bvt by Molmil](/molmil-images/mine/7bvt) | Crystal structure of cyclic alpha-maltosyl-1,6-maltose binding protein from Arthrobacter globiformis | Descriptor: | Hypothetical sugar ABC-transporter sugar binding protein, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Kohno, M, Arakawa, T, Mori, T, Nishimoto, T, Fushinobu, S. | Deposit date: | 2020-04-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Molecular analysis of cyclic alpha-maltosyl-(1→6)-maltose binding protein in the bacterial metabolic pathway. Plos One, 15, 2020
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6VS9
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8A1P
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![BU of 8a1p by Molmil](/molmil-images/mine/8a1p) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | Descriptor: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | Deposit date: | 2022-06-01 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function. Mbio, 14, 2023
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7UE1
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![BU of 7ue1 by Molmil](/molmil-images/mine/7ue1) | HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Integrase, SULFATE ION | Authors: | Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H. | Deposit date: | 2022-03-21 | Release date: | 2023-03-22 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants. Sci Adv, 9, 2023
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6VPF
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![BU of 6vpf by Molmil](/molmil-images/mine/6vpf) | |
6VV7
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![BU of 6vv7 by Molmil](/molmil-images/mine/6vv7) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6X2S
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![BU of 6x2s by Molmil](/molmil-images/mine/6x2s) | Crystal Structure of Mek1(NQ)NES peptide bound to CRM | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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3I0A
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![BU of 3i0a by Molmil](/molmil-images/mine/3i0a) | |
6VSD
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![BU of 6vsd by Molmil](/molmil-images/mine/6vsd) | |
6VSG
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![BU of 6vsg by Molmil](/molmil-images/mine/6vsg) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6SL5
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![BU of 6sl5 by Molmil](/molmil-images/mine/6sl5) | Dunaliella Photosystem I Supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Nelson, N, Caspy, I, Malavath, T, Klaiman, D, Shkolinsky, Y. | Deposit date: | 2019-08-18 | Release date: | 2020-06-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex. Biochim Biophys Acta Bioenerg, 1861, 2020
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1W66
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![BU of 1w66 by Molmil](/molmil-images/mine/1w66) | |
6XXA
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![BU of 6xxa by Molmil](/molmil-images/mine/6xxa) | |
6NSX
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![BU of 6nsx by Molmil](/molmil-images/mine/6nsx) | |
3IXP
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![BU of 3ixp by Molmil](/molmil-images/mine/3ixp) | |
6PV9
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![BU of 6pv9 by Molmil](/molmil-images/mine/6pv9) | |
6W50
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![BU of 6w50 by Molmil](/molmil-images/mine/6w50) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2020-03-12 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J.Med.Chem., 63, 2020
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