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PDB: 579 results

7WPD
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BU of 7wpd by Molmil
SARS-CoV-2 Omicron Variant S Trimer complexed with one JMB2002 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
Deposit date:2022-01-23
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WPF
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SARS-CoV-2 Omicron Variant S Trimer complexed with three JMB2002 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
Deposit date:2022-01-23
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WRV
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BU of 7wrv by Molmil
The interface of JMB2002 Fab binds to SARS-CoV-2 Omicron Variant S
Descriptor: JMB2002 Fab heavy chain, JMB2002 Fab light chain, Spike glycoprotein
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
Deposit date:2022-01-27
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WPE
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BU of 7wpe by Molmil
SARS-CoV-2 Omicron Variant S Trimer complexed with two JMB2002 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
Deposit date:2022-01-23
Release date:2022-03-23
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7YL2
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BU of 7yl2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
Descriptor: Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ...
Authors:Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-07-25
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
6K2L
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BU of 6k2l by Molmil
Crystal structure of the Siderophore-interacting protein SipS from Aeromonas hydrophila
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Siderophore-interacting protein
Authors:Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-05-14
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the Siderophore-interacting protein SIP from Aeromonas hydrophila.
Biochem.Biophys.Res.Commun., 519, 2019
6KMO
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Crystal structure of a novel esterase CinB from Enterobacter asburiae
Descriptor: Alpha/beta hydrolase
Authors:Shang, F, Xu, Y.
Deposit date:2019-07-31
Release date:2019-09-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional analyses of the lipase CinB from Enterobacter asburiae.
Biochem.Biophys.Res.Commun., 519, 2019
7EGB
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BU of 7egb by Molmil
TFIID-based holo PIC on SCP promoter
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y.
Deposit date:2021-03-24
Release date:2021-05-05
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
7XH6
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BU of 7xh6 by Molmil
Crystal structure of CBP bromodomain liganded with CCS1477
Descriptor: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-07
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XHE
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BU of 7xhe by Molmil
Crystal structure of CBP bromodomain liganded with CCS151
Descriptor: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-08
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XI0
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BU of 7xi0 by Molmil
Crystal structure of CBP bromodomain liganded with CCS150
Descriptor: (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL
Authors:Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-04-11
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8JWZ
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BU of 8jwz by Molmil
Crystal structure of A2AR-T4L in complex with AB928
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8GXQ
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BU of 8gxq by Molmil
PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y.
Deposit date:2022-09-21
Release date:2022-11-02
Method:ELECTRON MICROSCOPY (5.04 Å)
Cite:Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
4I11
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BU of 4i11 by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Descriptor: Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION
Authors:Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M.
Deposit date:2012-11-19
Release date:2013-03-06
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
8IUE
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BU of 8iue by Molmil
RNA polymerase III pre-initiation complex melting complex 1
Descriptor: DNA (74-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y.
Deposit date:2023-03-24
Release date:2023-05-24
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
8IUH
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BU of 8iuh by Molmil
RNA polymerase III pre-initiation complex open complex 1
Descriptor: DNA (81-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y.
Deposit date:2023-03-24
Release date:2023-05-24
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
8ITY
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BU of 8ity by Molmil
human RNA polymerase III pre-initiation complex closed DNA 1
Descriptor: DNA (82-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y.
Deposit date:2023-03-23
Release date:2023-06-07
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
5ZCS
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BU of 5zcs by Molmil
4.9 Angstrom Cryo-EM structure of human mTOR complex 2
Descriptor: Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ...
Authors:Chen, X, Liu, M, Tian, Y, Wang, H, Wang, J, Xu, Y.
Deposit date:2018-02-20
Release date:2018-03-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Cryo-EM structure of human mTOR complex 2.
Cell Res., 28, 2018
5YZ0
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BU of 5yz0 by Molmil
Cryo-EM Structure of human ATR-ATRIP complex
Descriptor: ATR-interacting protein, Serine/threonine-protein kinase ATR
Authors:Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y.
Deposit date:2017-12-11
Release date:2018-01-31
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structure of human ATR-ATRIP complex.
Cell Res., 28, 2018
4LJY
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BU of 4ljy by Molmil
Crystal structure of RNA splicing effector Prp5 in complex with ADP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
Deposit date:2013-07-05
Release date:2013-12-11
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
4LK2
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BU of 4lk2 by Molmil
Crystal structure of RNA splicing effector Prp5
Descriptor: NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5
Authors:Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J.
Deposit date:2013-07-05
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly.
Cell Rep, 5, 2013
8GXD
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BU of 8gxd by Molmil
L-LEUCINE DEHYDROGENASE FROM EXIGUOBACTERIUM SIBIRICUM
Descriptor: CALCIUM ION, GLYCEROL, Glu/Leu/Phe/Val dehydrogenase
Authors:Mu, X, Nie, Y, Wu, T, Wang, Y, Zhang, N, Yin, D, Xu, Y.
Deposit date:2022-09-19
Release date:2023-04-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Reshaping Substrate-Binding Pocket of Leucine Dehydrogenase for Bidirectionally Accessing Structurally Diverse Substrates
Acs Catalysis, 13, 2023

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