4NV0
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![BU of 4nv0 by Molmil](/molmil-images/mine/4nv0) | Crystal structure of cytosolic 5'-nucleotidase IIIB (cN-IIIB) bound to 7-methylguanosine | Descriptor: | 7-METHYLGUANOSINE, 7-methylguanosine phosphate-specific 5'-nucleotidase, MAGNESIUM ION, ... | Authors: | Monecke, T, Neumann, P, Ficner, R. | Deposit date: | 2013-12-04 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structures of the Novel Cytosolic 5'-Nucleotidase IIIB Explain Its Preference for m7GMP Plos One, 9, 2014
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8TO2
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![BU of 8to2 by Molmil](/molmil-images/mine/8to2) | Bottom cylinder of high-resolution phycobilisome quenched by OCP (local refinement) | Descriptor: | Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ... | Authors: | Sauer, P.V, Sutter, M, Cupellini, L. | Deposit date: | 2023-08-02 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Sci Adv, 10, 2024
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8TWF
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8TWG
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![BU of 8twg by Molmil](/molmil-images/mine/8twg) | |
9FBV
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8WD4
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![BU of 8wd4 by Molmil](/molmil-images/mine/8wd4) | EGFR(L858R/T790/C797S) in complex with compound 5j | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide | Authors: | Nishikawa, Y. | Deposit date: | 2023-09-14 | Release date: | 2023-12-20 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation. Bioorg.Med.Chem.Lett., 98, 2023
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8UK6
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8TTM
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![BU of 8ttm by Molmil](/molmil-images/mine/8ttm) | IgG1 Fc Heterodimer combYSelect1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain | Authors: | Azzam, T, Du, J.J, Sundberg, E.J. | Deposit date: | 2023-08-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers. Sci Adv, 10, 2024
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8TUD
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![BU of 8tud by Molmil](/molmil-images/mine/8tud) | IgG1 Fc Heterodimer combYSelect2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain | Authors: | Azzam, T, Du, J.J, Sundberg, E.J. | Deposit date: | 2023-08-16 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers. Sci Adv, 10, 2024
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8VFU
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8TO5
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![BU of 8to5 by Molmil](/molmil-images/mine/8to5) | Central rod disk in C1 symmetry of high-resolution phycobilisome quenched by OCP (local refinement) | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ... | Authors: | Sauer, P.V, Sutter, M, Cupellini, L. | Deposit date: | 2023-08-02 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (1.87 Å) | Cite: | Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Sci Adv, 10, 2024
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8Y6H
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![BU of 8y6h by Molmil](/molmil-images/mine/8y6h) | P-glycoprotein in complex with UIC2 Fab and triple elacridar molecules in LMNG detergent | Descriptor: | ATP-dependent translocase ABCB1,mNeonGreen, UIC2 Fab heavy chain, UIC2 Fab light chain, ... | Authors: | Hamaguchi-Suzuki, N, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Anzai, N, Senda, T, Murata, T. | Deposit date: | 2024-02-02 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryo-EM structure of P-glycoprotein bound to triple elacridar inhibitor molecules. Biochem.Biophys.Res.Commun., 709, 2024
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8W6X
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![BU of 8w6x by Molmil](/molmil-images/mine/8w6x) | Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Hiromoto, T, Tamada, T. | Deposit date: | 2023-08-30 | Release date: | 2023-09-13 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION | Cite: | New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase. Chem Sci, 14, 2023
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8Y6I
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![BU of 8y6i by Molmil](/molmil-images/mine/8y6i) | P-glycoprotein in complex with UIC2 Fab and triple elacridar molecules in nanodisc | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, ATP-dependent translocase ABCB1,mNeonGreen, CHOLESTEROL, ... | Authors: | Hamaguchi-Suzuki, N, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Anzai, N, Senda, T, Murata, T. | Deposit date: | 2024-02-02 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Cryo-EM structure of P-glycoprotein bound to triple elacridar inhibitor molecules. Biochem.Biophys.Res.Commun., 709, 2024
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3E9U
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![BU of 3e9u by Molmil](/molmil-images/mine/3e9u) | Crystal structure of Calx CBD2 domain | Descriptor: | Na/Ca exchange protein | Authors: | Wu, M, Zheng, L. | Deposit date: | 2008-08-23 | Release date: | 2009-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of CBD2 from the Drosophila Na(+)/Ca(2+) exchanger: diversity of Ca(2+) regulation and its alternative splicing modification. J.Mol.Biol., 387, 2009
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8TRO
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![BU of 8tro by Molmil](/molmil-images/mine/8tro) | Rod from high-resolution phycobilisome quenched by OCP (local refinement) | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ... | Authors: | Sauer, P.V, Sutter, M, Cupellini, L. | Deposit date: | 2023-08-09 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Sci Adv, 10, 2024
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4HKR
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![BU of 4hkr by Molmil](/molmil-images/mine/4hkr) | Calcium release-activated calcium (CRAC) channel ORAI | Descriptor: | BARIUM ION, Calcium release-activated calcium channel protein 1, FE (III) ION, ... | Authors: | Long, S.B, Hou, X. | Deposit date: | 2012-10-15 | Release date: | 2012-11-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3511 Å) | Cite: | Crystal structure of the calcium release-activated calcium channel Orai. Science, 338, 2012
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4HKS
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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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8IVW
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![BU of 8ivw by Molmil](/molmil-images/mine/8ivw) | Crystal structure of NRP2 in complex with aNRP2-10 Fab fragment | Descriptor: | Heavy chian of antibody 10V8 Fab fragment, Light chain of antibody 10V8 Fab fragment, Neuropilin-2 | Authors: | Geng, Y, Zhai, L. | Deposit date: | 2023-03-29 | Release date: | 2023-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.205 Å) | Cite: | Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer. Sci Transl Med, 15, 2023
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8IVX
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![BU of 8ivx by Molmil](/molmil-images/mine/8ivx) | Crystal structure of NRP2 in complex with aNRP2-14 Fab fragment | Descriptor: | 1,2-ETHANEDIOL, Heavy chain of antibody 14V4 Fab fragment, Light chain of antibody 14V4 Fab fragment, ... | Authors: | Geng, Y, Zhai, L. | Deposit date: | 2023-03-29 | Release date: | 2023-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer. Sci Transl Med, 15, 2023
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8JHU
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![BU of 8jhu by Molmil](/molmil-images/mine/8jhu) | Legionella effector protein SidI | Descriptor: | Legionella pneumophila effector protein SidI | Authors: | Wang, L, Subramanian, A, Mukherjee, S, Walter, P. | Deposit date: | 2023-05-25 | Release date: | 2023-08-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response. Nat.Cell Biol., 25, 2023
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6J6U
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![BU of 6j6u by Molmil](/molmil-images/mine/6j6u) | Rat PTPRZ D1-D2 domain | Descriptor: | Receptor-type tyrosine-protein phosphatase zeta | Authors: | Sugawara, H. | Deposit date: | 2019-01-15 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | A head-to-toe dimerization has physiological relevance for ligand-induced inactivation of protein tyrosine receptor type Z. J.Biol.Chem., 294, 2019
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7L4U
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![BU of 7l4u by Molmil](/molmil-images/mine/7l4u) | Crystal structure of human monoacylglycerol lipase in complex with compound 1h | Descriptor: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase | Authors: | Qin, L, Lane, W, Skene, R.J, Dougan, D. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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