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5E86
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BU of 5e86 by Molmil
isolated SBD of BiP with loop34 modification
Descriptor: 78 kDa glucose-regulated protein
Authors:Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L.
Deposit date:2015-10-13
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.681 Å)
Cite:Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
5E84
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BU of 5e84 by Molmil
ATP-bound state of BiP
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L.
Deposit date:2015-10-13
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
8JJC
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BU of 8jjc by Molmil
Tubulin-Y62
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ...
Authors:Yang, J.
Deposit date:2023-05-30
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
8JJB
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BU of 8jjb by Molmil
Crystal structure of T2R-TTL-Y61 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Yang, J.
Deposit date:2023-05-30
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
6BZ9
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BU of 6bz9 by Molmil
Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK
Descriptor: Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER
Authors:Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R.
Deposit date:2017-12-22
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7WWF
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BU of 7wwf by Molmil
Crystal structure of BioH3 from Mycolicibacterium smegmatis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase
Authors:Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J.
Deposit date:2022-02-12
Release date:2022-07-06
Last modified:2023-01-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target.
Plos Pathog., 18, 2022
6ASY
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BU of 6asy by Molmil
BiP-ATP2
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
Deposit date:2017-08-26
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
6MG1
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BU of 6mg1 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ...
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG3
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BU of 6mg3 by Molmil
V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG2
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BU of 6mg2 by Molmil
C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form
Descriptor: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.928 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
Descriptor: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
Authors:Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
Deposit date:2014-08-19
Release date:2015-01-14
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
5GZO
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BU of 5gzo by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
5GZN
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BU of 5gzn by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody Heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2016-12-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
2XDG
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BU of 2xdg by Molmil
Crystal structure of the extracellular domain of human growth hormone releasing hormone receptor.
Descriptor: 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION
Authors:Pike, A.C.W, Quigley, A, Barr, A.J, Burgess Brown, N, Shrestha, L, Yang, J, Chaikuad, A, Vollmar, M, Muniz, J.R.C, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P.
Deposit date:2010-04-30
Release date:2010-06-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the Extracellular Domain of Human Growth Hormone Releasing Hormone Receptor.
To be Published
8S4G
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BU of 8s4g by Molmil
Cryo-EM structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 at 3.2 Angstrom resolution
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D.
Deposit date:2024-02-21
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:New structural features of the APC/C revealed by high resolution cryo-EM structures of apo-APC/C and the APC/C-CDH1-EMI1 complex
To Be Published
2MP0
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BU of 2mp0 by Molmil
Protein Phosphorylation upon a Fleeting Encounter
Descriptor: Glucose-specific phosphotransferase enzyme IIA component, PHOSPHITE ION, Phosphoenolpyruvate-protein phosphotransferase
Authors:Xing, Q, Yang, J, Huang, P, Zhang, W, Tang, C.
Deposit date:2014-05-08
Release date:2014-08-20
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.
Angew.Chem.Int.Ed.Engl., 53, 2014
6QLE
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BU of 6qle by Molmil
Structure of inner kinetochore CCAN complex
Descriptor: Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3,Central kinetochore subunit CTF3,Inner kinetochore subunit CTF3, Central kinetochore subunit MCM16,Central kinetochore subunit MCM16,Inner kinetochore subunit MCM16,Mcm16p, Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1,Inner kinetochore subunit AME1, ...
Authors:Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
Deposit date:2019-01-31
Release date:2019-10-02
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
6QLD
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BU of 6qld by Molmil
Structure of inner kinetochore CCAN-Cenp-A complex
Descriptor: DNA (125-MER), Histone H2A.1, Histone H2B.1, ...
Authors:Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
Deposit date:2019-01-31
Release date:2019-10-02
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
6QLF
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BU of 6qlf by Molmil
Structure of inner kinetochore CCAN complex with mask1
Descriptor: Inner kinetochore subunit AME1, Inner kinetochore subunit CHL4, Inner kinetochore subunit CTF19, ...
Authors:Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
Deposit date:2019-01-31
Release date:2019-10-02
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
5C8Y
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BU of 5c8y by Molmil
Crystal structure of T2R-TTL-Plinabulin complex
Descriptor: (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-26
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
5CA1
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BU of 5ca1 by Molmil
Crystal structure of T2R-TTL-Nocodazole complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-29
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
5CA0
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BU of 5ca0 by Molmil
Crystal structure of T2R-TTL-Lexibulin complex
Descriptor: 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-29
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
5CB4
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BU of 5cb4 by Molmil
Crystal structure of T2R-TTL-Tivantinib complex
Descriptor: (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
6RPG
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BU of 6rpg by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor
Descriptor: Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
Authors:Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L.
Deposit date:2019-05-14
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6TGB
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BU of 6tgb by Molmil
CryoEM structure of the binary DOCK2-ELMO1 complex
Descriptor: Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1
Authors:Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D.
Deposit date:2019-11-15
Release date:2020-07-29
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020

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