6M0K
 
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | Deposit date: | 2020-02-22 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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6M03
 | | The crystal structure of COVID-19 main protease in apo form | | Descriptor: | 3C-like proteinase | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7W33
 | | The crystal structure of human CtsL in complex with 14a | | Descriptor: | N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | The crystal structure of human CtsL in complex with 14a
To Be Published
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7W34
 | | The crystal structure of human CtsL in complex with 14b | | Descriptor: | N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The crystal structure of human CtsL in complex with 14a
To Be Published
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7W7O
 | | The crystal structure of human Calpain-1 protease core in complex with 14a | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2021-12-06 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
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7X79
 | | The crystal structure of human Calpain-1 protease core in complex with 14b | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-03-09 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
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5XBM
 | | Structure of SCARB2-JL2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome membrane protein 2, ... | | Authors: | Zhang, X, Yang, P, Wang, N, Zhang, J, Li, J, Guo, H, Yin, X, Rao, Z, Wang, X, Zhang, L. | | Deposit date: | 2017-03-20 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | The binding of a monoclonal antibody to the apical region of SCARB2 blocks EV71 infection.
Protein Cell, 8, 2017
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5YGE
 | | ArgA complexed with AceCoA and glutamate | | Descriptor: | ACETYL COENZYME *A, Amino-acid acetyltransferase, CACODYLIC ACID, ... | | Authors: | Yang, X, Wu, L, Ran, Y, Xu, A, Zhang, B, Yang, X, Zhang, R, Rao, Z, Li, J. | | Deposit date: | 2017-09-22 | | Release date: | 2017-10-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.039 Å) | | Cite: | Crystal structure of l-glutamate N-acetyltransferase ArgA from Mycobacterium tuberculosis
Biochim. Biophys. Acta, 1865, 2017
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5ZHY
 | | Structural characterization of the HCoV-229E fusion core | | Descriptor: | Spike glycoprotein | | Authors: | Zhang, W, Zheng, Q, Yan, M, Chen, X, Yang, H, Zhou, W, Rao, Z. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.441 Å) | | Cite: | Structural characterization of the HCoV-229E fusion core.
Biochem. Biophys. Res. Commun., 497, 2018
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5ZHZ
 | | Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis | | Descriptor: | Probable endonuclease 4, SULFATE ION, ZINC ION | | Authors: | Zhang, W, Xu, Y, Yan, M, Li, S, Wang, H, Yang, H, Zhou, W, Rao, Z. | | Deposit date: | 2018-03-13 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 498, 2018
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6L2T
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7BVC
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVF
 | | Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | | Descriptor: | CALCIUM ION, CARDIOLIPIN, Ethambutol, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVE
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol | | Descriptor: | CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVG
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7C9Z
 | | Coxsackievirus B1 F-particle | | Descriptor: | MYRISTIC ACID, PALMITIC ACID, VP1, ... | | Authors: | Feng, R, Wang, K, Rao, Z, Wang, X. | | Deposit date: | 2020-06-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7C2M
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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7C9V
 | | E30 F-particle in complex with FcRn | | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, MYRISTIC ACID, ... | | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7C9X
 | | Echovirus 3 F-particle | | Descriptor: | MYRISTIC ACID, SPHINGOSINE, VP1, ... | | Authors: | Wang, K, Rao, Z, Wang, X. | | Deposit date: | 2020-06-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7C9S
 | | Echovirus 30 F-particle | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Wang, K, Sun, Y, Zhu, L, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7CAF
 | | Mycobacterium smegmatis LpqY-SugABC complex in the pre-translocation state | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liu, F, Liang, J, Zhang, B, Gao, Y, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-06-08 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Sci Adv, 6, 2020
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7C2N
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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7C9Y
 | | Coxsackievirus B5 (CVB5) F-particle | | Descriptor: | MYRISTIC ACID, PALMITIC ACID, VP1, ... | | Authors: | Wang, K, Rao, Z, Wang, X. | | Deposit date: | 2020-06-08 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7CAD
 | | Mycobacterium smegmatis SugABC complex | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liu, F, Liang, J, Zhang, B, Gao, Y, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-06-08 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Sci Adv, 6, 2020
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7C9W
 | | E30 F-particle in complex with CD55 | | Descriptor: | Complement decay-accelerating factor, MYRISTIC ACID, SPHINGOSINE, ... | | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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