1AVV
| HIV-1 NEF PROTEIN, UNLIGANDED CORE DOMAIN | Descriptor: | NEGATIVE FACTOR | Authors: | Arold, S, Franken, P, Dumas, C. | Deposit date: | 1997-09-21 | Release date: | 1998-03-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of HIV-1 Nef protein bound to the Fyn kinase SH3 domain suggests a role for this complex in altered T cell receptor signaling. Structure, 5, 1997
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1AVZ
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2EZN
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1D8V
| THE RESTRAINED AND MINIMIZED AVERAGE NMR STRUCTURE OF MAP30. | Descriptor: | ANTI-HIV AND ANTI-TUMOR PROTEIN MAP30 | Authors: | Wang, Y.-X, Neamati, N, Jacob, J, Palmer, I, Stahl, S.J. | Deposit date: | 1999-10-26 | Release date: | 1999-11-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of anti-HIV-1 and anti-tumor protein MAP30: structural insights into its multiple functions. Cell(Cambridge,Mass.), 99, 1999
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1ZRP
| SOLUTION-STATE STRUCTURE BY NMR OF ZINC-SUBSTITUTED RUBREDOXIN FROM THE MARINE HYPERTHERMOPHILIC ARCHAEBACTERIUM PYROCOCCUS FURIOSUS | Descriptor: | RUBREDOXIN, ZINC ION | Authors: | Blake, P.R, Park, J.B, Zhou, Z.H, Hare, D.R, Adams, M.W.W, Summers, M.F. | Deposit date: | 1992-07-10 | Release date: | 1993-10-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution-state structure by NMR of zinc-substituted rubredoxin from the marine hyperthermophilic archaebacterium Pyrococcus furiosus. Protein Sci., 1, 1992
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1J4V
| CYANOVIRIN-N | Descriptor: | CYANOVIRIN-N | Authors: | Clore, G.M, Bewley, C.A. | Deposit date: | 2001-11-21 | Release date: | 2002-03-06 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Using conjoined rigid body/torsion angle simulated annealing to determine the relative orientation of covalently linked protein domains from dipolar couplings. J.Magn.Reson., 154, 2002
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1GIP
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1EFN
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2EZA
| AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI, NMR, RESTRAINED REGULARIZED MEAN STRUCTURE | Descriptor: | PHOSPHOTRANSFERASE SYSTEM, ENZYME I | Authors: | Clore, G.M, Tjandra, N, Garrett, D.S, Gronenborn, A.M. | Deposit date: | 1997-05-07 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy. Nat.Struct.Biol., 4, 1997
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2EZC
| AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI, NMR, 14 STRUCTURES | Descriptor: | PHOSPHOTRANSFERASE SYSTEM, ENZYME I | Authors: | Clore, G.M, Tjandra, N, Garrett, D.S, Gronenborn, A.M. | Deposit date: | 1997-05-07 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy. Nat.Struct.Biol., 4, 1997
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2EZB
| AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI, NMR, 14 STRUCTURES | Descriptor: | PHOSPHOTRANSFERASE SYSTEM, ENZYME I | Authors: | Clore, G.M, Tjandra, N, Garrett, D.S, Gronenborn, A.M. | Deposit date: | 1997-05-07 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy. Nat.Struct.Biol., 4, 1997
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2EZM
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2GAT
| SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ... | Authors: | Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M. | Deposit date: | 1997-11-07 | Release date: | 1998-01-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution. Nat.Struct.Biol., 4, 1997
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9FBY
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9FBX
| C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ... | Authors: | Chung, C. | Deposit date: | 2024-05-14 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787. J.Med.Chem., 67, 2024
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2MOR
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8B5G
| C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one, ... | Authors: | Chung, C. | Deposit date: | 2022-09-22 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.619 Å) | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5H
| C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one | Descriptor: | (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2022-09-22 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5I
| C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | Descriptor: | (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2022-09-22 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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8B5J
| C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | Descriptor: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2022-09-22 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432. J.Med.Chem., 65, 2022
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