6I05
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![BU of 6i05 by Molmil](/molmil-images/mine/6i05) | |
6K72
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![BU of 6k72 by Molmil](/molmil-images/mine/6k72) | eIF2(aP) - eIF2B complex | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | Authors: | Kashiwagi, K, Yokoyama, T, Ito, T. | Deposit date: | 2019-06-05 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis for eIF2B inhibition in integrated stress response. Science, 364, 2019
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8H3M
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![BU of 8h3m by Molmil](/molmil-images/mine/8h3m) | Conformation 1 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy chain, Spike glycoprotein | Authors: | Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-05-10 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants. J.Virol., 97, 2023
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8H3N
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![BU of 8h3n by Molmil](/molmil-images/mine/8h3n) | Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy-chain, MO1 light chain, ... | Authors: | Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-05-10 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants. J.Virol., 97, 2023
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8HUB
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![BU of 8hub by Molmil](/molmil-images/mine/8hub) | AMP deaminase 2 in complex with an inhibitor | Descriptor: | 3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide, AMP deaminase 2, ZINC ION | Authors: | Adachi, T, Doi, S. | Deposit date: | 2022-12-23 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action. Bioorg.Med.Chem.Lett., 80, 2023
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8HU6
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![BU of 8hu6 by Molmil](/molmil-images/mine/8hu6) | AMP deaminase 2 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, AMP deaminase 2, SULFATE ION, ... | Authors: | Adachi, T, Doi, S. | Deposit date: | 2022-12-22 | Release date: | 2023-01-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action. Bioorg.Med.Chem.Lett., 80, 2023
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8IB1
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![BU of 8ib1 by Molmil](/molmil-images/mine/8ib1) | |
8HV7
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![BU of 8hv7 by Molmil](/molmil-images/mine/8hv7) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 9 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV2
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8HV6
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![BU of 8hv6 by Molmil](/molmil-images/mine/8hv6) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 8 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV1
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![BU of 8hv1 by Molmil](/molmil-images/mine/8hv1) | Crystal structure of EGFR_DMX in complex with covalently bound fragment 1 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV5
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![BU of 8hv5 by Molmil](/molmil-images/mine/8hv5) | Crystal structure of EGFR_DMX in complex with compound 7 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV4
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![BU of 8hv4 by Molmil](/molmil-images/mine/8hv4) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 4 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV8
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![BU of 8hv8 by Molmil](/molmil-images/mine/8hv8) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 10 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV3
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![BU of 8hv3 by Molmil](/molmil-images/mine/8hv3) | Crystal structure of EGFR_DMX in complex with covalently bound fragment 4 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8HV9
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![BU of 8hv9 by Molmil](/molmil-images/mine/8hv9) | Crystal structure of EGFR_TMX in complex with covalently bound fragment 12 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | Authors: | Dokurno, P. | Deposit date: | 2022-12-26 | Release date: | 2023-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem, 14, 2023
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8IFB
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![BU of 8ifb by Molmil](/molmil-images/mine/8ifb) | Dibekacin-bound E.coli 70S ribosome in the PURE system | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Tomono, J, Asano, K, Chiashi, T, Tanaka, Y, Yokoyama, T. | Deposit date: | 2023-02-17 | Release date: | 2024-02-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Direct visualization of ribosomes in the cell-free system revealed the functional evolution of aminoglycoside. J.Biochem., 175, 2024
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8IFC
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![BU of 8ifc by Molmil](/molmil-images/mine/8ifc) | Arbekacin-bound E.coli 70S ribosome in the PURE system | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Tomono, J, Asano, K, Chiashi, T, Tanaka, Y, Yokoyama, T. | Deposit date: | 2023-02-17 | Release date: | 2024-02-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Direct visualization of ribosomes in the cell-free system revealed the functional evolution of aminoglycoside. J.Biochem., 175, 2024
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8IFE
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![BU of 8ife by Molmil](/molmil-images/mine/8ife) | Arbekacin-added human 80S ribosome | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Tomono, J, Asano, K, Chiashi, T, Tanaka, Y, Yokoyama, T. | Deposit date: | 2023-02-17 | Release date: | 2024-02-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Direct visualization of ribosomes in the cell-free system revealed the functional evolution of aminoglycoside. J.Biochem., 175, 2024
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8IFD
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![BU of 8ifd by Molmil](/molmil-images/mine/8ifd) | Dibekacin-added human 80S ribosome | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | Authors: | Tomono, J, Asano, K, Chiashi, T, Tanaka, Y, Yokoyama, T. | Deposit date: | 2023-02-17 | Release date: | 2024-02-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Direct visualization of ribosomes in the cell-free system revealed the functional evolution of aminoglycoside. J.Biochem., 175, 2024
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8IIA
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![BU of 8iia by Molmil](/molmil-images/mine/8iia) | |
8IXS
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![BU of 8ixs by Molmil](/molmil-images/mine/8ixs) | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | Descriptor: | (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Nomura, A, Yamaguchi, K, Adachi, T. | Deposit date: | 2023-04-03 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
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8IVR
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![BU of 8ivr by Molmil](/molmil-images/mine/8ivr) | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | Descriptor: | (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Nomura, A, Yamaguchi, K, Adachi, T. | Deposit date: | 2023-03-28 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
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8JYG
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![BU of 8jyg by Molmil](/molmil-images/mine/8jyg) | Crystal structure of Human HPSE1 in complex with inhibitor | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mima, M, Fujimoto, N, Imai, Y. | Deposit date: | 2023-07-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor. Bioorg.Med.Chem., 93, 2023
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8K5W
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![BU of 8k5w by Molmil](/molmil-images/mine/8k5w) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | Descriptor: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | Authors: | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | Deposit date: | 2023-07-24 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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