4V0C
 
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5BPM
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5BPL
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5BPN
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5BN8
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5BN9
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5BX7
 | | PKA in complex with a benzothiophene fragment compound. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | | Authors: | Narayanan, D, Alam, K.A, Engh, R.A. | | Deposit date: | 2015-06-08 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
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4WGL
 | | Crystal structure of a GroEL D83A/R197A double mutant | | Descriptor: | 60 kDa chaperonin | | Authors: | Yang, D, Fei, X, LaRonde, N.A, Beckett, D, Lund, P.A, Lorimer, G.H. | | Deposit date: | 2014-09-19 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Crystal structure of a GroEL D83A/R197A double mutant
To Be Published
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1AU6
 | | SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND-CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX, DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3') | | Authors: | Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Farrell, N, Wang, A.H.-J. | | Deposit date: | 1997-09-11 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A novel DNA structure induced by the anticancer bisplatinum compound crosslinked to a GpC site in DNA.
Nat.Struct.Biol., 2, 1995
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1AU5
 | | SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTG*G*TCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | Cisplatin, DNA (5'-D(*CP*CP*TP*GP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*CP*AP*GP*G)-3') | | Authors: | Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Wang, A.H.-J. | | Deposit date: | 1997-09-11 | | Release date: | 1998-02-25 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Structure and isomerization of an intrastrand cisplatin-cross-linked octamer DNA duplex by NMR analysis.
Biochemistry, 34, 1995
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7OF9
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFD
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 6-fluoranyl-2-methyl-quinolin-4-ol, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFA
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFF
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFE
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFC
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OFB
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7OF8
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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3EAB
 | | Crystal structure of Spastin MIT in complex with ESCRT III | | Descriptor: | CHMP1b, Spastin | | Authors: | Yang, D, Rimanchi, N, Renvoise, B, Lippincott-Schwartz, J, Blackstone, C, Hurley, J.H. | | Deposit date: | 2008-08-25 | | Release date: | 2008-11-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for midbody targeting of spastin by the ESCRT-III protein CHMP1B.
Nat.Struct.Mol.Biol., 15, 2008
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1KKH
 | | Crystal Structure of the Methanococcus jannaschii Mevalonate Kinase | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Mevalonate Kinase | | Authors: | Yang, D, Shipman, L.W, Roessner, C.A, Scott, A.I, Sacchettini, J.C. | | Deposit date: | 2001-12-08 | | Release date: | 2002-03-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Methanococcus jannaschii mevalonate kinase, a member of the GHMP kinase superfamily.
J.Biol.Chem., 277, 2002
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4UMO
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8DE4
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8DE3
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3MHV
 | | Crystal Structure of Vps4 and Vta1 | | Descriptor: | Vacuolar protein sorting-associated protein 4, Vacuolar protein sorting-associated protein VTA1 | | Authors: | Yang, D, Hurley, J.H. | | Deposit date: | 2010-04-09 | | Release date: | 2010-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural role of the Vps4-Vta1 interface in ESCRT-III recycling
Structure, 18, 2010
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5BX6
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