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7LV2
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BU of 7lv2 by Molmil
GSQASS segment from the Nucleoprotein of SARS-CoV-2, residues 179-184
Descriptor: Nucleoprotein GSQASS
Authors:Hou, K, Sawaya, M.R, Eisenberg, D.S, Cascio, D.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LTU
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BU of 7ltu by Molmil
AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1
Descriptor: AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid
Authors:Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
Deposit date:2021-02-20
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.122 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
Authors:Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
Deposit date:2020-01-17
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
7DWY
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BU of 7dwy by Molmil
S protein of SARS-CoV-2 in the locked conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX6
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BU of 7dx6 by Molmil
S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 3 (2 up RBD and 1 PD bound)
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 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DWX
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BU of 7dwx by Molmil
Conformation 1 of S-ACE2-B0AT1 ternary 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, Angiotensin-converting enzyme 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX3
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BU of 7dx3 by Molmil
S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 1 (1 up RBD and no PD bound)
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:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX0
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BU of 7dx0 by Molmil
Trypsin-digested S protein of 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:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX1
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BU of 7dx1 by Molmil
S protein of SARS-CoV-2 D614G mutant
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:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DWZ
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BU of 7dwz by Molmil
S protein of SARS-CoV-2 in the active conformation
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:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX2
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BU of 7dx2 by Molmil
Trypsin-digested S protein of SARS-CoV-2 D614G mutant
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:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX8
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BU of 7dx8 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 2 (2 up RBD and 2 PD bound)
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 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX5
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BU of 7dx5 by Molmil
S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 2 (1 up RBD and 1 PD bound)
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 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX9
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BU of 7dx9 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 3 (3 up RBD and 2 PD bound)
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 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7DX7
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BU of 7dx7 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 1 (1 up RBD and 1 PD bound)
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 2, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-01-18
Release date:2021-03-31
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
5VC9
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BU of 5vc9 by Molmil
Zinc finger of human CXXC4 in complex with CpG DNA
Descriptor: CXXC-type zinc finger protein 4, CpG DNA, UNKNOWN ATOM OR ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-31
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
5WCH
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BU of 5wch by Molmil
Crystal structure of the catalytic domain of human USP9X
Descriptor: Probable ubiquitin carboxyl-terminal hydrolase FAF-X, UNKNOWN ATOM OR ION, ZINC ION
Authors:Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2018-07-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and activity-based labeling reveal the mechanisms for linkage-specific substrate recognition by deubiquitinase USP9X.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3HK5
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BU of 3hk5 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate
Descriptor: CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3HK8
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BU of 3hk8 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinohydroxamate
Descriptor: CARBONATE ION, CHLORIDE ION, D-arabinohydroxamic acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
7LTB
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BU of 7ltb by Molmil
Crystal Structure of Keratinicyclin B
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-19
Release date:2022-12-07
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
3HKA
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BU of 3hka by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Fructuronate
Descriptor: CARBONATE ION, CHLORIDE ION, D-fructuronic acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
7LKC
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BU of 7lkc by Molmil
Crystal Structure of Keratinimicin A
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-02
Release date:2022-12-07
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
7VPP
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BU of 7vpp by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPQ
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BU of 7vpq by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ji, W, Xu, Y, Zhang, S.
Deposit date:2021-10-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
5B43
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BU of 5b43 by Molmil
Crystal structure of Acidaminococcus sp. Cpf1 in complex with crRNA and target DNA
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cpf1, DNA (34-MER), ...
Authors:Yamano, T, Nishimasu, H, Hirano, H, Nakane, T, Ishitani, R, Nureki, O.
Deposit date:2016-03-30
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Cpf1 in Complex with Guide RNA and Target DNA
Cell, 165, 2016

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