1FTK
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![BU of 1ftk by Molmil](/molmil-images/mine/1ftk) | |
6J8R
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![BU of 6j8r by Molmil](/molmil-images/mine/6j8r) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.575 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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1FTM
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![BU of 1ftm by Molmil](/molmil-images/mine/1ftm) | |
6J8Q
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![BU of 6j8q by Molmil](/molmil-images/mine/6j8q) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-01-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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1FW0
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![BU of 1fw0 by Molmil](/molmil-images/mine/1fw0) | |
1FTO
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![BU of 1fto by Molmil](/molmil-images/mine/1fto) | |
1FTL
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![BU of 1ftl by Molmil](/molmil-images/mine/1ftl) | |
6JN4
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![BU of 6jn4 by Molmil](/molmil-images/mine/6jn4) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | Descriptor: | ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN5
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![BU of 6jn5 by Molmil](/molmil-images/mine/6jn5) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN3
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![BU of 6jn3 by Molmil](/molmil-images/mine/6jn3) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN6
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![BU of 6jn6 by Molmil](/molmil-images/mine/6jn6) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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1IYJ
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![BU of 1iyj by Molmil](/molmil-images/mine/1iyj) | STRUCTURE OF A BRCA2-DSS1 COMPLEX | Descriptor: | Deleted in split hand/split foot protein 1, breast cancer susceptibility | Authors: | Pavletich, N.P, Jeffrey, P.D, Yang, H.J. | Deposit date: | 2002-08-28 | Release date: | 2002-10-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure. Science, 297, 2002
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7CWL
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![BU of 7cwl by Molmil](/molmil-images/mine/7cwl) | |
7CWM
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![BU of 7cwm by Molmil](/molmil-images/mine/7cwm) | |
3I6G
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![BU of 3i6g by Molmil](/molmil-images/mine/3i6g) | Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Liu, J. | Deposit date: | 2009-07-07 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes. J.INFECT.DIS., 202, 2010
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7CWN
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![BU of 7cwn by Molmil](/molmil-images/mine/7cwn) | P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, N, Wang, X. | Deposit date: | 2020-08-29 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection. Cell Res., 31, 2021
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6ABO
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![BU of 6abo by Molmil](/molmil-images/mine/6abo) | human XRCC4 and IFFO1 complex | Descriptor: | DNA repair protein XRCC4, GLYCEROL, Intermediate filament family orphan 1, ... | Authors: | Li, J, Liu, L, Liang, H, Liu, Y, Xu, D. | Deposit date: | 2018-07-23 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The nucleoskeleton protein IFFO1 immobilizes broken DNA and suppresses chromosome translocation during tumorigenesis. Nat.Cell Biol., 21, 2019
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7CWO
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![BU of 7cwo by Molmil](/molmil-images/mine/7cwo) | SARS-CoV-2 spike protein RBD and P17 fab complex | Descriptor: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | Authors: | Wang, X, Wang, N. | Deposit date: | 2020-08-29 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection. Cell Res., 31, 2021
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1M5C
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![BU of 1m5c by Molmil](/molmil-images/mine/1m5c) | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH Br-HIBO AT 1.65 A RESOLUTION | Descriptor: | (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2 | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | Deposit date: | 2002-07-09 | Release date: | 2002-09-18 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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1MQD
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![BU of 1mqd by Molmil](/molmil-images/mine/1mqd) | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.46 A resolution. Crystallization in the presence of lithium sulfate. | Descriptor: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, GLYCEROL, Glutamate receptor subunit 2, ... | Authors: | Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S. | Deposit date: | 2002-09-16 | Release date: | 2003-07-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | GluR2 ligand-binding core complexes: Importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists. FEBS Lett., 531, 2002
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1M5D
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![BU of 1m5d by Molmil](/molmil-images/mine/1m5d) | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION | Descriptor: | (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2, SULFATE ION | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | Deposit date: | 2002-07-09 | Release date: | 2002-09-18 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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1M5F
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![BU of 1m5f by Molmil](/molmil-images/mine/1m5f) | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION | Descriptor: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | Deposit date: | 2002-07-09 | Release date: | 2002-09-18 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core J.Mol.Biol., 322, 2002
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7VUN
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![BU of 7vun by Molmil](/molmil-images/mine/7vun) | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | Deposit date: | 2021-11-03 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents. Acta Pharm Sin B, 12, 2022
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7WL9
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![BU of 7wl9 by Molmil](/molmil-images/mine/7wl9) | Mouse Pendrin in chloride and bicarbonate in asymmetric state | Descriptor: | CHLORIDE ION, Pendrin | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2022-01-12 | Release date: | 2023-04-12 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger. Nat Commun, 14, 2023
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7WK1
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![BU of 7wk1 by Molmil](/molmil-images/mine/7wk1) | Mouse Pendrin bound chloride in inward state | Descriptor: | CHLORIDE ION, Pendrin | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2022-01-08 | Release date: | 2023-04-12 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger. Nat Commun, 14, 2023
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