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
 | | 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
 | | 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
 | | 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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6KP6
 | | The structural study of mutation induced inactivation of Human muscarinic receptor M4 | | Descriptor: | Muscarinic acetylcholine receptor M4,GlgA glycogen synthase,Muscarinic acetylcholine receptor M4 | | Authors: | Wang, J.J, Wu, M, Wu, L.J, Liu, Z.J, Hua, T. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structural study of mutation-induced inactivation of human muscarinic receptor M4
Iucrj, 7, 2020
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6KPF
 | | Cryo-EM structure of a class A GPCR with G protein complex | | Descriptor: | 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Shen, L, Wang, Y.X, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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6KPG
 | | Cryo-EM structure of CB1-G protein complex | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hua, T, Li, X.T, Wu, L.J, Makriyannis, A, Wang, Y.X, Shen, L, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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6AJ9
 | | The structure of Enterovirus D68 mature virion in complex with Fab 15C5 and 11G1 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-27 | | Release date: | 2018-11-07 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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6AJ3
 | | The structure of Enterovirus D68 procapsid | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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6AJ7
 | | The structure of Enterovirus D68 mature virion in complex with Fab 15C5 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-27 | | Release date: | 2018-11-07 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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5JI6
 | | Potent, Reversible MetAP2 Inhibitors via FBDD | | Descriptor: | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole, MANGANESE (II) ION, Methionine aminopeptidase 2, ... | | Authors: | Dougan, D.R, Lawson, J.D. | | Deposit date: | 2016-04-21 | | Release date: | 2016-05-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Bioorg.Med.Chem.Lett., 26, 2016
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5GS4
 | | Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | | Descriptor: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | | Authors: | Xie, M, Wang, T, Li, Z.-G. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-30 | | Last modified: | 2018-07-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
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5GTR
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5VAG
 | | Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus | | Descriptor: | 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ... | | Authors: | Song, H, Ying, T, Ji, X. | | Deposit date: | 2017-03-26 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
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6KL9
 | | Structure of LbCas12a-crRNA complex bound to AcrVA4 (form A complex) | | Descriptor: | AcrVA4, LbCas12a, MAGNESIUM ION, ... | | Authors: | Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3P0Y
 | | anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2010-09-29 | | Release date: | 2011-10-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
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6KLB
 | | Structure of LbCas12a-crRNA complex bound to AcrVA4 (form B complex) | | Descriptor: | AcrVA4, LbCas12a, MAGNESIUM ION, ... | | Authors: | Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3P11
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3P0V
 | | anti-EGFR/HER3 Fab DL11 alone | | Descriptor: | CALCIUM ION, Fab DL11 heavy chain, Fab DL11 light chain | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2010-09-29 | | Release date: | 2011-10-19 | | Last modified: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
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7EAX
 | | Crystal complex of p53-V272M and antimony ion | | Descriptor: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | | Authors: | Lu, M, Tang, Y. | | Deposit date: | 2021-03-08 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
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3UDV
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | | Authors: | Shaw, G, Shi, G, Ji, X. | | Deposit date: | 2011-10-28 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
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7SQ1
 | | BG505.MD39TS Env trimer in complex with Fab from antibody C05 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C05 Fab Light chain, ... | | Authors: | Moore, A, Du, J, Xu, Z, Walker, S, Kulp, D.W, Pallesen, J. | | Deposit date: | 2021-11-04 | | Release date: | 2022-06-22 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Induction of tier-2 neutralizing antibodies in mice with a DNA-encoded HIV envelope native like trimer.
Nat Commun, 13, 2022
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1TMJ
 | | Crystal structure of E.coli apo-HPPK(W89A) at 1.45 Angstrom resolution | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Blaszczyk, J, Ji, X. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies.
Biochemistry, 44, 2005
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5GYQ
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1RTZ
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