7KH9
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![BU of 7kh9 by Molmil](/molmil-images/mine/7kh9) | Crystal structure of OXA-48 K73A in complex with imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-20 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KHZ
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![BU of 7khz by Molmil](/molmil-images/mine/7khz) | Crystal structure of OXA-163 K73A in complex with imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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7KHQ
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![BU of 7khq by Molmil](/molmil-images/mine/7khq) | Crystal structure of OXA-48 K73A in complex with meropenem | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | Deposit date: | 2020-10-21 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems. Acs Infect Dis., 7, 2021
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5GYZ
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![BU of 5gyz by Molmil](/molmil-images/mine/5gyz) | luciferase AMP/7-cy-L complex | Descriptor: | (4S)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Su, J, Wang, F. | Deposit date: | 2016-09-26 | Release date: | 2017-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of luciferase with AMP/7-cy-L at 2.4 Angstroms resolution To Be Published
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7YDX
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![BU of 7ydx by Molmil](/molmil-images/mine/7ydx) | Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | Deposit date: | 2022-07-04 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
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7YC9
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![BU of 7yc9 by Molmil](/molmil-images/mine/7yc9) | Co-crystal structure of BTK kinase domain with inhibitor | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | Authors: | Zhou, X. | Deposit date: | 2022-07-01 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases. J.Med.Chem., 66, 2023
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3C27
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![BU of 3c27 by Molmil](/molmil-images/mine/3c27) | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors | Descriptor: | Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | Authors: | Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. | Deposit date: | 2008-01-24 | Release date: | 2009-02-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.182 Å) | Cite: | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors To be Published
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4O8C
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![BU of 4o8c by Molmil](/molmil-images/mine/4o8c) | Structure of the H170Y mutant of thermostable p-nitrophenylphosphatase from Bacillus Stearothermophilus | Descriptor: | MAGNESIUM ION, SULFATE ION, Thermostable NPPase | Authors: | Shen, T, Guo, Z, Wang, F, Gong, W, Ji, C. | Deposit date: | 2013-12-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a His170Tyr mutant of thermostable pNPPase from Geobacillus stearothermophilus. Acta Crystallogr.,Sect.F, 70, 2014
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7KM6
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![BU of 7km6 by Molmil](/molmil-images/mine/7km6) | APOBEC3B antibody 5G7 Fv-clasp | Descriptor: | 1,2-ETHANEDIOL, 5G7 human monoclonal FAB heavy chain, 5G7 human monoclonal FAB light chain, ... | Authors: | Tang, H, Shi, K, Aihara, H. | Deposit date: | 2020-11-02 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Characterization of a Minimal Antibody against Human APOBEC3B. Viruses, 13, 2021
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7WB5
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![BU of 7wb5 by Molmil](/molmil-images/mine/7wb5) | local structure of hu33 and spike | Descriptor: | Surface glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hu33 heavy chain, ... | Authors: | Pulan, L. | Deposit date: | 2021-12-15 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A non-ACE2-blocking neutralizing antibody against Omicron-included SARS-CoV-2 variants. Signal Transduct Target Ther, 7, 2022
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7WBH
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![BU of 7wbh by Molmil](/molmil-images/mine/7wbh) | overall structure of hu33 and spike | 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: | Pulan, L. | Deposit date: | 2021-12-16 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A non-ACE2-blocking neutralizing antibody against Omicron-included SARS-CoV-2 variants. Signal Transduct Target Ther, 7, 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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7WL2
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![BU of 7wl2 by Molmil](/molmil-images/mine/7wl2) | |
7WLA
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![BU of 7wla by Molmil](/molmil-images/mine/7wla) | |
7WLE
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![BU of 7wle by Molmil](/molmil-images/mine/7wle) | |
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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7WL7
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![BU of 7wl7 by Molmil](/molmil-images/mine/7wl7) | |
7WK7
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![BU of 7wk7 by Molmil](/molmil-images/mine/7wk7) | Mouse Pendrin bound bicarbonate in inward state | Descriptor: | BICARBONATE ION, Pendrin | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2022-01-08 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger. Nat Commun, 14, 2023
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7WL8
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![BU of 7wl8 by Molmil](/molmil-images/mine/7wl8) | |
7WLB
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![BU of 7wlb by Molmil](/molmil-images/mine/7wlb) | |
7XWX
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![BU of 7xwx by Molmil](/molmil-images/mine/7xwx) | Crystal structure of SARS-CoV-2 N-CTD | Descriptor: | Nucleoprotein, PHOSPHATE ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XX1
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![BU of 7xx1 by Molmil](/molmil-images/mine/7xx1) | Crystal structure of SARS-CoV-2 N-NTD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XWZ
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![BU of 7xwz by Molmil](/molmil-images/mine/7xwz) | Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ... | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7WVD
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![BU of 7wvd by Molmil](/molmil-images/mine/7wvd) | Crystal structure of H14 complexed with SIA28 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ... | Authors: | Chen, Y, Qi, J, Gao, G.F. | Deposit date: | 2022-02-10 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes. Nat Commun, 13, 2022
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7WVI
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![BU of 7wvi by Molmil](/molmil-images/mine/7wvi) | Crystal structure of SIA28 | Descriptor: | Heavy chain of SIA28, Light chain of SIA28 | Authors: | Chen, Y, Qi, J, Gao, G.F. | Deposit date: | 2022-02-10 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes. Nat Commun, 13, 2022
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