7RY1
 
 | | human Hsp90_MC domain structure | | Descriptor: | Heat shock protein HSP 90-alpha, N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE | | Authors: | Peng, S, Deng, J, Matts, R. | | Deposit date: | 2021-08-24 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.523 Å) | | Cite: | Crystal structure of the middle and C-terminal domains of Hsp90 alpha labeled with a coumarin derivative reveals a potential allosteric binding site as a drug target.
Acta Crystallogr D Struct Biol, 78, 2022
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7RXZ
 | | human Hsp90_MC domain structure | | Descriptor: | Heat shock protein HSP 90-alpha | | Authors: | Peng, S, Deng, J, Matts, R. | | Deposit date: | 2021-08-24 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.152 Å) | | Cite: | Structural basis of the key residue W320 responsible for Hsp90 conformational change.
J.Biomol.Struct.Dyn., 2022
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6WZW
 | | Ash1L SET domain in complex with AS-85 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ... | | Authors: | Li, H, Deng, J, Cierpicki, T, Grembecka, J. | | Deposit date: | 2020-05-14 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
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3VBC
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1J9H
 | | Crystal Structure of an RNA Duplex with Uridine Bulges | | Descriptor: | 5'-R(*GP*UP*GP*UP*CP*GP*(CBR)P*AP*C)-3', CALCIUM ION | | Authors: | Xiong, Y, Deng, J, Sudarsanakumar, C, Sundaralingam, M. | | Deposit date: | 2001-05-25 | | Release date: | 2001-10-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an RNA duplex r(gugucgcac)(2) with uridine bulges.
J.Mol.Biol., 313, 2001
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3F62
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4XFT
 | | Structure of IL-18 SER Mutant III | | Descriptor: | DIMETHYL SULFOXIDE, Interleukin-18 | | Authors: | Krumm, B.E, Meng, X, Xiang, Y, Deng, J. | | Deposit date: | 2014-12-29 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
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4XFU
 | | Structure of IL-18 SER Mutant V | | Descriptor: | Interleukin-18 | | Authors: | Krumm, B.E, Meng, X, Xiang, Y, Deng, J. | | Deposit date: | 2014-12-29 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
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4XFS
 | | Structure of IL-18 SER Mutant I | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Interleukin-18 | | Authors: | Krumm, B.E, Meng, X, Xiang, Y, Deng, J. | | Deposit date: | 2014-12-28 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
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1J6S
 | | Crystal Structure of an RNA Tetraplex (UGAGGU)4 with A-tetrads, G-tetrads, U-tetrads and G-U octads | | Descriptor: | 5'-R(*(BRUP*GP*AP*GP*GP*U)-3', BARIUM ION, SODIUM ION | | Authors: | Pan, B, Xiong, Y, Shi, K, Deng, J, Sundaralingam, M. | | Deposit date: | 2002-07-10 | | Release date: | 2003-08-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an RNA purine-rich tetraplex containing adenine tetrads:
implications for specific binding in RNA tetraplexes
Structure, 11, 2003
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1JZV
 | | Crystal structure of a bulged RNA from the SL2 stem-loop of the HIV-1 psi-RNA | | Descriptor: | 5'-R(*CP*AP*GP*UP*AP*CP*GP*(5IC)P*C)-3', 5'-R(*GP*GP*CP*GP*AP*CP*(5BU)P*G)-3', MAGNESIUM ION | | Authors: | Xiong, Y, Sudarsanakumar, C, Deng, J, Pan, B, Sundaralingam, M. | | Deposit date: | 2001-09-17 | | Release date: | 2003-11-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of a Bulged RNA from the SL2 Stem-loop of the HIV-1 psi-RNA
To be Published
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5CYW
 | | Crystal Structure of Vaccinia Virus C7 | | Descriptor: | GLYCEROL, Interferon antagonist C7 | | Authors: | Krumm, B.E, Meng, X, Li, Y, Xiang, Y, Deng, J. | | Deposit date: | 2015-07-30 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for antagonizing a host restriction factor by C7 family of poxvirus host-range proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5CZ3
 | | Crystal Structure of Myxoma Virus M64 | | Descriptor: | BETA-MERCAPTOETHANOL, M64R | | Authors: | Krumm, B.E, Meng, X, Li, Y, Xiang, Y, Deng, J. | | Deposit date: | 2015-07-31 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for antagonizing a host restriction factor by C7 family of poxvirus host-range proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3HHS
 | | Crystal Structure of Manduca sexta prophenoloxidase | | Descriptor: | COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2 | | Authors: | Li, Y, Wang, Y, Jiang, H, Deng, J. | | Deposit date: | 2009-05-17 | | Release date: | 2009-09-29 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7KSP
 | | Crystal structure of hSAMD9_DBD with DNA | | Descriptor: | DNA, Sterile alpha motif domain-containing protein 9 | | Authors: | Peng, S, Pathak, P, Xiang, Y, Deng, J. | | Deposit date: | 2020-11-23 | | Release date: | 2022-01-05 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and function of an effector domain in antiviral factors and tumor suppressors SAMD9 and SAMD9L.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5UCJ
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5UCI
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5UCH
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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4EEE
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4EKX
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4NUX
 | | Structure of receptor A | | Descriptor: | Interleukin-17 receptor A | | Authors: | Zhang, B, Han, Y, Deng, J. | | Deposit date: | 2013-12-04 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Structure of the unique SEFIR domain from human interleukin 17 receptor A reveals a composite ligand-binding site containing a conserved alpha-helix for Act1 binding and IL-17 signaling.
Acta Crystallogr.,Sect.D, 70, 2014
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7LSZ
 | | Hsp90a N-terminal inhibitor | | Descriptor: | Heat shock protein HSP 90-alpha, {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone | | Authors: | Balch, M, Peng, S, Deng, J, Matts, R. | | Deposit date: | 2021-02-18 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7LT0
 | | Hsp90a N-terminal inhibitor | | Descriptor: | (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone, Heat shock protein HSP 90-alpha | | Authors: | Balch, M, Peng, S, Deng, J, Matts, R. | | Deposit date: | 2021-02-18 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Selective Inhibition of the Hsp90 alpha Isoform.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7X3P
 | | Crystal structure of human SIRT5 in complex with diazirine inhibitor 9 | | Descriptor: | 5-[[(5~{S})-6-[[(1~{S})-1-(4-hydroxyphenyl)-2-oxidanylidene-2-(prop-2-ynylamino)ethyl]amino]-6-oxidanylidene-5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]hexyl]amino]-5-sulfanylidene-pentanoic acid, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacylase sirtuin-5, ... | | Authors: | Li, G.-B, Deng, J. | | Deposit date: | 2022-03-01 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of human SIRT5 in complex with diazirine inhibitor 9
To Be Published
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6CB7
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