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6KKJ
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BU of 6kkj by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.385 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
Deposit date:2020-05-26
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
Descriptor: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
Authors:Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
Deposit date:2020-09-19
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7Y5Q
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BU of 7y5q by Molmil
Structure of 1:1 PAPP-A.STC2 complex(half map)
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-06-17
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
7Y5N
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BU of 7y5n by Molmil
Structure of 1:1 PAPP-A.ProMBP complex(half map)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ...
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-06-17
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
7Y62
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BU of 7y62 by Molmil
Crystal structure of human TFEB HLHLZ domain
Descriptor: Transcription factor EB
Authors:Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J.
Deposit date:2022-06-18
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB.
Proc.Natl.Acad.Sci.USA, 120, 2023
7EX7
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BU of 7ex7 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 16
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX8
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BU of 7ex8 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 27
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX4
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BU of 7ex4 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 5
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX3
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BU of 7ex3 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 3
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX9
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BU of 7ex9 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 28
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX2
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BU of 7ex2 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form)
Descriptor: MANGANESE (II) ION, Replicase, methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EX6
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BU of 7ex6 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 11
Descriptor: MANGANESE (II) ION, Replicase, methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
7EWZ
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BU of 7ewz by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (D92A mutant)
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWW
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BU of 7eww by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (N52A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWV
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BU of 7ewv by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (H34A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWX
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BU of 7ewx by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (P78A mutant)
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX1
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BU of 7ex1 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (Y109A mutant)
Descriptor: CHLORIDE ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX0
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BU of 7ex0 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (K108A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWY
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BU of 7ewy by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (D79A mutant)
Descriptor: Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWU
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BU of 7ewu by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (WT)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7VX0
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BU of 7vx0 by Molmil
The structure of GdmN complex with ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-12
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYO
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BU of 7vyo by Molmil
The structure of GdmN
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYJ
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BU of 7vyj by Molmil
The structure of GdmN in complex with carbamoyl adenylate intermediate
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-14
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VZN
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The structure of GdmN in complex with carbamoyl adenylate intermediate and 20-O-methyl-19-chloroproansamitocin
Descriptor: (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione, 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, ...
Authors:Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
Deposit date:2021-11-16
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022

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