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1LYO
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BU of 1lyo by Molmil
CROSS-LINKED LYSOZYME CRYSTAL IN NEAT WATER
Descriptor: LYSOZYME
Authors:Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y.
Deposit date:1998-03-05
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
3LYO
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BU of 3lyo by Molmil
CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 95% ACETONITRILE-WATER
Descriptor: ACETONITRILE, LYSOZYME
Authors:Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y.
Deposit date:1998-03-11
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
2LYO
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BU of 2lyo by Molmil
CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 90% ACETONITRILE-WATER
Descriptor: ACETONITRILE, LYSOZYME
Authors:Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y.
Deposit date:1998-03-06
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
4LYO
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BU of 4lyo by Molmil
CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN NEAT ACETONITRILE, THEN BACK-SOAKED IN WATER
Descriptor: LYSOZYME
Authors:Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y.
Deposit date:1998-03-11
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
7X79
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BU of 7x79 by Molmil
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
8GX3
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BU of 8gx3 by Molmil
The crystal structure of human Calpain-1 protease core in complex with 14c
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-09-18
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The crystal structure of human Calpain-1 protease core in complex with 14c
To Be Published
8GX2
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BU of 8gx2 by Molmil
The crystal structure of human CtsL in complex with 14c
Descriptor: DIMETHYL SULFOXIDE, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2022-09-18
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human CtsL in complex with 14a
To Be Published
8GXI
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BU of 8gxi by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14c
Descriptor: 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-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
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with 14c
To Be Published
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
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with 14a
To Be Published
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
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with 14b
To Be Published
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
Descriptor: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of CTSB in complex with K777
To Be Published
8HFV
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BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
Descriptor: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-12
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of CTSL in complex with K777
To Be Published
7W7O
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BU of 7w7o by Molmil
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
7W33
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BU of 7w33 by Molmil
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
7W34
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BU of 7w34 by Molmil
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
7WCW
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BU of 7wcw by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 7v
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
Authors:Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
Deposit date:2021-12-20
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.317 Å)
Cite:Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
7WCT
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BU of 7wct by Molmil
Crystal structure of FGFR4 kinase domain with 7v
Descriptor: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
Authors:Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
Deposit date:2021-12-20
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
7WCX
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BU of 7wcx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 7v
Descriptor: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
Authors:Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H.
Deposit date:2021-12-20
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
J.Med.Chem., 65, 2022
8JV5
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BU of 8jv5 by Molmil
Cryo-EM structure of the zebrafish P2X4 receptor in complex with BX430
Descriptor: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, P2X purinoceptor
Authors:Hattori, M, Shen, C.
Deposit date:2023-06-27
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into the allosteric inhibition of P2X4 receptors.
Nat Commun, 14, 2023
8JV6
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BU of 8jv6 by Molmil
Cryo-EM structure of the zebrafish P2X4 receptor in complex with BAY-1797
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide, P2X purinoceptor
Authors:Hattori, M, Shen, C.
Deposit date:2023-06-27
Release date:2023-10-18
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structural insights into the allosteric inhibition of P2X4 receptors.
Nat Commun, 14, 2023
6M03
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BU of 6m03 by Molmil
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
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:2023-11-29
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
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
7DVY
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BU of 7dvy by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate
Descriptor: 3C-like proteinase, nsp9/10 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 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
7DVX
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BU of 7dvx by Molmil
SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate
Descriptor: 3C-like proteinase, nsp6/7 peptidyl substrate
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-01-15
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 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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