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4GU0
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BU of 4gu0 by Molmil
Crystal structure of LSD2 with H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Yang, H, Dong, Z, Fang, J, Zhu, T, Gong, W, Xu, Y.
Deposit date:2012-08-29
Release date:2013-02-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Structural insight into substrate recognition by histone demethylase LSD2/KDM1b
Cell Res., 23, 2013
3U0J
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BU of 3u0j by Molmil
Crystal structure of ADP-ribosyltransferase HopU1 of Pseudomonas syringae pv. Tomato DC3000
Descriptor: Type III effector HopU1
Authors:Lin, Y, Yang, H, Wang, P, Xu, Y.
Deposit date:2011-09-28
Release date:2011-11-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure function analysis of an ADP-ribosyltransferase type III effector and its RNA-binding target in plant immunity
J.Biol.Chem., 286, 2011
7BUY
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BU of 7buy by Molmil
The crystal structure of COVID-19 main protease in complex with carmofur
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid
Authors:Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z.
Deposit date:2020-04-08
Release date:2020-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
8XK2
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BU of 8xk2 by Molmil
A neutralizing nanobody VHH60 against wt SARS-CoV-2
Descriptor: Spike protein S1, VHH60 nanobody
Authors:Lu, Y, Guo, H, Ji, X, Yang, H.
Deposit date:2023-12-22
Release date:2024-07-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug.
Cell Death Dis, 15, 2024
8XKI
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BU of 8xki by Molmil
A neutralizing nanobody VHH60 against wt SARS-CoV-2
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:Lu, Y, Guo, H, Ji, X, Yang, H.
Deposit date:2023-12-23
Release date:2024-07-10
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug.
Cell Death Dis, 15, 2024
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
7VH8
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BU of 7vh8 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Zhao, Y, Zhang, Q, Yang, H, Rao, Z.
Deposit date:2021-09-21
Release date:2021-11-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Protein Cell, 13, 2022
8K46
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BU of 8k46 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K47
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BU of 8k47 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
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:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K45
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BU of 8k45 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb4 nanobody, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
4H0N
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BU of 4h0n by Molmil
Crystal structure of Spodoptera frugiperda DNMT2 E260A/E261A/K263A mutant
Descriptor: CALCIUM ION, DNMT2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Li, S, Du, J, Yang, H, Yin, J, Zhong, J, Ding, J.
Deposit date:2012-09-09
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:Functional and structural characterization of DNMT2 from Spodoptera frugiperda.
J Mol Cell Biol, 5, 2013
9J6O
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BU of 9j6o by Molmil
Crystal Structure of bromodomain of human CBP in complex with the inhibitor CZL-046
Descriptor: (3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one, CHLORIDE ION, CREB-binding protein
Authors:Zhang, Y, Zhang, C, Chen, Z, Yang, H, Huang, X, Li, Y, Xu, Y.
Deposit date:2024-08-16
Release date:2024-10-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery of CZL-046 with an ( S )-3-Fluoropyrrolidin-2-one Scaffold as a p300 Bromodomain Inhibitor for the Treatment of Multiple Myeloma.
J.Med.Chem., 67, 2024
4KTH
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BU of 4kth by Molmil
Structure of A/Hubei/1/2010 H5 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Shore, D.A, Yang, H, Carney, P.J, Chang, J.C, Stevens, J.
Deposit date:2013-05-20
Release date:2013-11-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Antigenic Variation among Diverse Clade 2 H5N1 Viruses.
Plos One, 8, 2013
8ZVX
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BU of 8zvx by Molmil
Crystal structure of snFPITE-n2
Descriptor: GLYCEROL, PENTAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Chen, X, Yang, H.
Deposit date:2024-06-12
Release date:2025-04-02
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A facultative plasminogen-independent thrombolytic enzyme from Sipunculus nudus.
Nat Commun, 16, 2025
8ZVS
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BU of 8zvs by Molmil
Crystal structure of snFPITE-n1
Descriptor: SULFATE ION, phenylmethanesulfonic acid, snFPITE-n1
Authors:Chen, X, Yang, H, Hu, Y.L.
Deposit date:2024-06-12
Release date:2025-04-02
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:A facultative plasminogen-independent thrombolytic enzyme from Sipunculus nudus.
Nat Commun, 16, 2025
4KW1
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BU of 4kw1 by Molmil
Structure of a/egypt/n03072/2010 h5 ha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Shore, D.A, Yang, H, Carney, P.J, Chang, J.C, Stevens, J.
Deposit date:2013-05-23
Release date:2014-06-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and antigenic variation among diverse clade 2 H5N1 viruses.
Plos One, 8, 2013
1WNO
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BU of 1wno by Molmil
Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Hu, H, Wang, G, Yang, H, Zhou, J, Mo, L, Yang, K, Jin, C, Jin, C, Rao, Z.
Deposit date:2004-08-07
Release date:2005-03-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a native chitinase from Aspergillus fumigatus YJ-407
To be Published
7VUX
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BU of 7vux by Molmil
Complex structure of PD1 and 609A-Fab
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X.
Deposit date:2021-11-04
Release date:2021-11-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties.
Mabs, 14, 2022
8GXG
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BU of 8gxg by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14a
Descriptor: 3C-like proteinase nsp5, N-[(2S)-3-(4-fluorophenyl)-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
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-09-20
Release date:2023-09-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
8W6C
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BU of 8w6c by Molmil
CryoEM structure of NaDC1 with Citrate
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, CITRIC ACID, ...
Authors:Chi, X, Chen, Y, Li, Y, Dai, L, Zhang, Y, Shen, Y, Chen, Y, Shi, T, Yang, H, Wang, Z, Yan, R.
Deposit date:2023-08-28
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8GXH
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BU of 8gxh by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14b
Descriptor: 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-09-20
Release date:2023-09-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
8WDD
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BU of 8wdd by Molmil
Crystal structure of BSA in complex with B1
Descriptor: Albumin, ~{N},~{N}-dimethyl-6-[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-2-amine
Authors:Chen, X, Ge, Y.H, Yang, H, Fang, B, Li, L.
Deposit date:2023-09-14
Release date:2024-09-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structure of BSA in complex with B1
To Be Published
8KFO
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BU of 8kfo by Molmil
Crystal structure of BSA in complex with B3
Descriptor: 6-[(~{E})-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyridin-1-ium-4-yl]ethenyl]-~{N},~{N}-dimethyl-naphthalen-2-amine, Albumin
Authors:Chen, X, Ge, Y.H, Yang, H, Fang, B, Li, L.
Deposit date:2023-08-16
Release date:2024-08-21
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Albumins constrainting the conformation of mitochondria-targeted photosensitizers for tumor-specific photodynamic therapy.
Biomaterials, 315, 2025
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
Descriptor: 3C-like proteinase
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-08-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.491 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
7WIX
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BU of 7wix by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ...
Authors:Zhang, B, Sun, S, Yang, H, Rao, Z.
Deposit date:2022-01-05
Release date:2023-01-25
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023

238582

数据于2025-07-09公开中

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