1TXB
 
 | | SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, 10 STRUCTURES | | Descriptor: | TOXIN B | | Authors: | Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C. | | Deposit date: | 1996-07-20 | | Release date: | 1997-10-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah).
J.Biol.Chem., 272, 1997
|
|
1TXA
 | | SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | TOXIN B | | Authors: | Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C. | | Deposit date: | 1996-07-20 | | Release date: | 1997-10-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah).
J.Biol.Chem., 272, 1997
|
|
7RY0
 | | human Hsp90_MC domain structure | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, 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 (2.2 Å) | | Cite: | Structural basis of the key residue W320 responsible for Hsp90 conformational change.
J.Biomol.Struct.Dyn., 2022
|
|
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
|
|
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
|
|
4PQZ
 | |
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
|
|
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
|
|
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
|
|
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
|
|
7W41
 | |
1HY7
 | | A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 | | Descriptor: | CALCIUM ION, R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID, STROMELYSIN-1, ... | | Authors: | Natchus, M.G, Bookland, R.G, Laufersweiler, M.J, Pikul, S, Almstead, N.G, De, B, Janusz, M.J, Hsieh, L.C, Gu, F, Pokross, M.E, Patel, V.S, Garver, S.M, Peng, S.X, Branch, T.M, King, S.L, Baker, T.R, Foltz, D.J, Mieling, G.E. | | Deposit date: | 2001-01-18 | | Release date: | 2002-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines.
J.Med.Chem., 44, 2001
|
|
6WIG
 | | Structure of STENOFOLIA Protein HD domain bound with DNA | | Descriptor: | DNA (5'-D(P*CP*TP*TP*GP*AP*AP*TP*AP*AP*AP*TP*CP*AP*TP*TP*AP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*AP*AP*TP*GP*AP*TP*TP*TP*AP*TP*TP*CP*AP*AP*G)-3'), STENOFOLIA | | Authors: | Deng, J, Peng, S, Pathak, P. | | Deposit date: | 2020-04-09 | | Release date: | 2021-08-11 | | Last modified: | 2022-02-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the unique tetrameric STENOFOLIA homeodomain bound with target promoter DNA.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
3RE1
 | |
5UC4
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | | Deposit date: | 2016-12-21 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
|
|
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
|
|
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
|
|
7UR3
 | | Hsp90 alpha inhibitor | | Descriptor: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha | | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | | Deposit date: | 2022-04-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode.
Acs Med.Chem.Lett., 13, 2022
|
|
7U8X
 | | hTRAP1 with inhibitors | | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone | | Authors: | Deng, J, Matts, R, Peng, S. | | Deposit date: | 2022-03-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
|
|
7U8W
 | | hTRAP1 with inhibitors | | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone | | Authors: | Deng, J, Matts, R, Peng, S. | | Deposit date: | 2022-03-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.706 Å) | | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
|
|
7U8U
 | | hTRAP1 with inhibitors | | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone | | Authors: | Deng, J, Matts, R, Peng, S. | | Deposit date: | 2022-03-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.065 Å) | | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
|
|
7U8V
 | | hTRAP1 with inhibitors | | Descriptor: | (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone], Heat shock protein 75 kDa, mitochondrial | | Authors: | Deng, J, Matts, R, Peng, S. | | Deposit date: | 2022-03-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.448 Å) | | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
|
|
7FI6
 | | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | | Descriptor: | MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | | Deposit date: | 2021-07-30 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
|
|
7FI5
 | | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | | Descriptor: | GLYCEROL, MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | | Deposit date: | 2021-07-30 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
|
|
7FI8
 | | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D | | Descriptor: | MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein | | Authors: | Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J. | | Deposit date: | 2021-07-30 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
|
|
