5WSH
| Structure of HLA-A2 P130 | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ... | Authors: | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | Deposit date: | 2016-12-07 | Release date: | 2017-12-20 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress. J. Virol., 92, 2018
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8INP
| A reversible glycosyltransferase of tectorigenin - Bc7OUGT | Descriptor: | Bc7OUGT, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose | Authors: | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | Deposit date: | 2023-03-10 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence. Plant Biotechnol J, 21, 2023
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8ITA
| A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin | Descriptor: | 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE | Authors: | Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J. | Deposit date: | 2023-03-22 | Release date: | 2023-08-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence. Plant Biotechnol J, 21, 2023
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6NW2
| Structure of human RIPK1 kinase domain in complex with compound 11 | Descriptor: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2019-02-05 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group. Bioorg.Med.Chem.Lett., 29, 2019
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8H06
| Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-28 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8GRY
| Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-03 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8H5C
| Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-10-12 | Release date: | 2023-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8HFX
| Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with white-tailed deer ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Han, P, Meng, Y.M, Qi, J.X. | Deposit date: | 2022-11-13 | Release date: | 2023-08-30 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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8HFY
| SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Han, P, Meng, Y.M, Qi, J.X. | Deposit date: | 2022-11-13 | Release date: | 2023-08-30 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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8HG0
| Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with white-tailed deer ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | Authors: | Han, P, Meng, Y.M, Qi, J.X. | Deposit date: | 2022-11-13 | Release date: | 2023-08-30 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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8HFZ
| Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with white-tailed deer ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Han, P, Meng, Y.M, Qi, J.X. | Deposit date: | 2022-11-13 | Release date: | 2023-08-30 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity. J.Virol., 97, 2023
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7FEE
| Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | Authors: | Wang, X, Zhao, C, Shao, Z. | Deposit date: | 2021-07-19 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
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7L26
| HPK1 IN COMPLEX WITH COMPOUND 38 | Descriptor: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7L24
| HPK1 IN COMPLEX WITH COMPOUND 11 | Descriptor: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7L25
| HPK1 IN COMPLEX WITH COMPOUND 18 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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7M0L
| HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0K
| HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0M
| HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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5XQX
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5YWO
| Structure of JEV-2F2 Fab complex | Descriptor: | 2F2 heavy chain, 2F2 light chain, JEV E protein, ... | Authors: | Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Last modified: | 2018-09-12 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
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5YWF
| Crystal structure of 2H4 Fab | Descriptor: | 2H4 heavy chain, 2H4 light chain | Authors: | Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
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8IEJ
| RNF20-RNF40/hRad6A-Ub/nucleosome complex | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | Authors: | Ai, H, Deng, Z, Sun, M, Du, Y, Pan, M, Liu, L. | Deposit date: | 2023-02-15 | Release date: | 2023-09-06 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A. Mol.Cell, 83, 2023
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8IEG
| Bre1(mRBD-RING)/Rad6-Ub/nucleosome complex | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase BRE1, Histone H2A type 1-B/E, ... | Authors: | Ai, H, Deng, Z, Pan, M, Liu, L. | Deposit date: | 2023-02-15 | Release date: | 2023-09-06 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Mechanistic insights into nucleosomal H2B monoubiquitylation mediated by yeast Bre1-Rad6 and its human homolog RNF20/RNF40-hRAD6A. Mol.Cell, 83, 2023
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8HR1
| Cryo-EM structure of SSX1 bound to the unmodified nucleosome at a resolution of 3.02 angstrom | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Zebin, T, Ai, H.S, Ziyu, X, Man, P, Liu, L. | Deposit date: | 2022-12-14 | Release date: | 2023-09-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes. Nat.Struct.Mol.Biol., 31, 2024
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7SEL
| E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) | Descriptor: | (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | Authors: | Payandeh, J, Koth, C.M, Verma, V.A. | Deposit date: | 2021-09-30 | Release date: | 2022-03-09 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (2.978 Å) | Cite: | Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity. J.Med.Chem., 65, 2022
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