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4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
Descriptor: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
6VAT
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BU of 6vat by Molmil
Structure of the periplasmic domain of YejM from Salmonella typhimurium
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
Authors:Gabale, U, Ressl, S.
Deposit date:2019-12-17
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
4L94
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BU of 4l94 by Molmil
Crystal structure of Human Hsp90 with S46
Descriptor: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
6VC7
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BU of 6vc7 by Molmil
Structure of the F349A mutant of the periplasmic domain of YejM from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOLAMINE, ...
Authors:Gabale, U, Ressl, S.
Deposit date:2019-12-20
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
6VDF
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BU of 6vdf by Molmil
Structure of the periplasmic domain of YejM from Salmonella typhimurium (twinned)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:Gabale, U, Ressl, S.
Deposit date:2019-12-25
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The essential inner membrane protein YejM is a metalloenzyme.
Sci Rep, 10, 2020
4LWE
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BU of 4lwe by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2
Descriptor: Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWI
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BU of 4lwi by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6
Descriptor: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWF
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BU of 4lwf by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3
Descriptor: 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWG
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BU of 4lwg by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4
Descriptor: 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWH
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BU of 4lwh by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
Descriptor: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
Authors:Li, J, Shi, F, Xiong, B, He, J.
Deposit date:2013-07-27
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
8D9X
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BU of 8d9x by Molmil
Cryo-EM structure of human DELE1 in oligomeric form
Descriptor: Maltodextrin-binding protein,DAP3-binding cell death enhancer 1 short form
Authors:Yang, J, Lander, G.C.
Deposit date:2022-06-11
Release date:2023-06-14
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:DELE1 oligomerization promotes integrated stress response activation.
Nat.Struct.Mol.Biol., 30, 2023
4ZSZ
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BU of 4zsz by Molmil
Structure of a fusion protein with a helix linker, 2ARH-3-3KAW-3.0
Descriptor: Uncharacterized Fusion Protein
Authors:Lai, Y.-T, Yeates, T.O.
Deposit date:2015-05-14
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.251 Å)
Cite:On the predictability of the orientation of protein domains joined by a spanning alpha-helical linker.
Protein Eng.Des.Sel., 28, 2015
4ZSV
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BU of 4zsv by Molmil
Structure of a fusion protein with a helix linker, 2ARH-3-3KAW-1.0
Descriptor: Uncharacterized protein
Authors:Lai, Y.-T, Yeates, T.O.
Deposit date:2015-05-14
Release date:2015-08-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:On the predictability of the orientation of protein domains joined by a spanning alpha-helical linker.
Protein Eng.Des.Sel., 28, 2015
4ZSX
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BU of 4zsx by Molmil
Structure of a fusion protein with a helix linker, 2ARH-3-3KAW-2.0
Descriptor: PHOSPHATE ION, Uncharacterized Fusion Protein
Authors:Lai, Y.-T, Yeates, T.O.
Deposit date:2015-05-14
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:On the predictability of the orientation of protein domains joined by a spanning alpha-helical linker.
Protein Eng.Des.Sel., 28, 2015
6MTM
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BU of 6mtm by Molmil
Crystal Structure of EM2 TCR in complex with HLA-B*37:01-NP338
Descriptor: Beta-2-microglobulin, EM2 TCR alpha chain, EM2 TCR beta chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
Descriptor: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
6DF1
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BU of 6df1 by Molmil
Anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with phosphotyrosine peptide
Descriptor: Anti-phosphotyrosine antibody 4G10-4D5 heavy chain, Anti-phosphotyrosine antibody 4G10-4D5 light chain, LEU-PTR
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6DF2
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BU of 6df2 by Molmil
Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide
Descriptor: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6NXE
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BU of 6nxe by Molmil
Cryo-EM Reconstruction of Protease-Activateable Adeno-Associated Virus 9 (AAV9-L001)
Descriptor: Capsid protein VP1
Authors:Bennett, A.B, Agbandje-Mckenna, M.
Deposit date:2019-02-08
Release date:2019-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Protease-Activatable Adeno-Associated Virus Vector for Gene Delivery to Damaged Heart Tissue.
Mol. Ther., 27, 2019
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
6DEZ
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BU of 6dez by Molmil
Anti-phosphotyrosine antibody PY20-4D5 Fab complexed with sulfate
Descriptor: Anti-phosphotyrosine antibody PY20-4D5 heavy chain, Anti-phosphotyrosine antibody PY20-4D5 light chain, SULFATE ION
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6DF0
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BU of 6df0 by Molmil
anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with sulfate
Descriptor: 4G10-4D5 Antibody Light chain, 4G10-4D5 Antibody heavy chain, SULFATE ION
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
4RHW
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BU of 4rhw by Molmil
Crystal structure of Apaf-1 CARD and caspase-9 CARD complex
Descriptor: Apoptotic protease-activating factor 1, CHLORIDE ION, Caspase-9, ...
Authors:Hu, Q, Wu, D, Yan, C, Shi, Y.
Deposit date:2014-10-03
Release date:2014-10-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular determinants of caspase-9 activation by the Apaf-1 apoptosome.
Proc. Natl. Acad. Sci. U.S.A., 111, 2014
6PBH
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BU of 6pbh by Molmil
Crystal Structure of HLA-A*68:01 in complex with NP145-156, a 12 mer influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-68 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-06-13
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Challenging immunodominance of influenza-specific CD8+T cell responses restricted by the risk-associated HLA-A*68:01 allomorph.
Nat Commun, 10, 2019
7V54
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BU of 7v54 by Molmil
Structure of AdaV
Descriptor: AdaV, FE (III) ION
Authors:Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022

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