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PDB: 20 results
5C5A
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BU of 5c5a by Molmil
Crystal Structure of HDM2 in complex with Nutlin-3a
Descriptor: 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Orts, J, Waelti, M.A, Marsh, M, Vera, L, Gossert, A.D, Guentert, P, Riek, R.
Deposit date:2015-06-19
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.146 Å)
Cite:NMR Molecular Replacement, NMR2
To Be Published
7AQT
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BU of 7aqt by Molmil
NMR2 structure of BRD4-BD2 in complex with iBET-762
Descriptor: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4
Authors:Orts, J, Torres, F, Milbradt, A.G, Walser, R.
Deposit date:2020-10-23
Release date:2022-03-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
7B9X
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BU of 7b9x by Molmil
NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
Descriptor: N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha
Authors:Orts, J, Torres, F, Milbradt, A.G, Walser, R.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
7QDQ
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BU of 7qdq by Molmil
Crystal Structure of HDM2 in complex with Caylin-1
Descriptor: CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ...
Authors:Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J.
Deposit date:2021-11-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
2N0T
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BU of 2n0t by Molmil
Structural ensemble of the enzyme cyclophilin reveals an orchestrated mode of action at atomic resolution
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Chi, C.N, Voegeli, B, Bibow, S, Strotz, D, Orts, J, Guntert, P, Riek, R.
Deposit date:2015-03-13
Release date:2015-08-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Structural Ensemble for the Enzyme Cyclophilin Reveals an Orchestrated Mode of Action at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 54, 2015
8QDS
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BU of 8qds by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-(4-fluorophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
Descriptor: 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QDP
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BU of 8qdp by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
Descriptor: RASK GTPase (Fragment), ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QE7
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BU of 8qe7 by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 2-(methylsulfonylmethyl)-1H-benzimidazole
Descriptor: 2-[(methylsulfonyl)methyl]-1H-benzimidazole, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QDK
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BU of 8qdk by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
Descriptor: N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-29
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QEJ
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BU of 8qej by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-yl)pyrrolidin-2-one
Descriptor: (5~{S})-5-(1~{H}-indol-2-yl)pyrrolidin-2-one, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-31
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QDT
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BU of 8qdt by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
Descriptor: 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QEI
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BU of 8qei by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide
Descriptor: RASK GTPase (Fragment), ~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-31
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QDW
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BU of 8qdw by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
Descriptor: N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-09-11
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QDN
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BU of 8qdn by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with7-fluoro-N,N-dimethyl-1-benzofuran-2-carboxamide
Descriptor: 7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-10-16
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8QE6
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BU of 8qe6 by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
Descriptor: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-08-30
Release date:2024-10-16
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8PI0
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BU of 8pi0 by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
Descriptor: (5~{S})-5-(1~{H}-indol-2-yl)piperazin-2-one, V-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog, isoform CRA_b
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-06-20
Release date:2024-07-10
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
8PIY
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BU of 8piy by Molmil
NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with (2E)-3-(1H-indol-2-yl)prop-2-enoic acid
Descriptor: (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid, RASK GTPase (Fragment)
Authors:Buetikofer, M, Orts, J.
Deposit date:2023-06-22
Release date:2024-07-10
Method:SOLUTION NMR
Cite:NMR2 Structure of KRAS G12V (GMPPNP bound) in complex with 5-(1H-indol-2-l)piperazin-2-one
To Be Published
6SVC
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BU of 6svc by Molmil
Protein allostery of the WW domain at atomic resolution: apo structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-09-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SVE
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BU of 6sve by Molmil
Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-10-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SVH
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BU of 6svh by Molmil
Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-09-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020

226707

數據於2024-10-30公開中

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