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1EFN
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BU of 1efn by Molmil
HIV-1 NEF PROTEIN IN COMPLEX WITH R96I MUTANT FYN SH3 DOMAIN
Descriptor: FYN TYROSINE KINASE, HIV-1 NEF PROTEIN, TRIMETHYL LEAD ION
Authors:Lee, C.-H, Kuriyan, J.
Deposit date:1996-06-29
Release date:1997-01-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the conserved core of HIV-1 Nef complexed with a Src family SH3 domain.
Cell(Cambridge,Mass.), 85, 1996
2EZA
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BU of 2eza by Molmil
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
2EZC
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BU of 2ezc by Molmil
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
2EZB
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BU of 2ezb by Molmil
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
2EZM
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BU of 2ezm by Molmil
SOLUTION NMR STRUCTURE OF CYANOVIRIN-N, RESTRAINED REGULARIZED MEAN COORDINATES
Descriptor: CYANOVIRIN-N
Authors:Bewley, C.A, Gronenborn, A.M, Clore, G.M.
Deposit date:1998-05-06
Release date:1999-05-11
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of cyanovirin-N, a potent HIV-inactivating protein.
Nat.Struct.Biol., 5, 1998
2EZN
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BU of 2ezn by Molmil
SOLUTION NMR STRUCTURE OF CYANOVIRIN-N ENSEMBLE OF 40 SIMULATED ANNEALING STRUCTURES
Descriptor: CYANOVIRIN-N
Authors:Bewley, C.A, Gronenborn, A.M, Clore, G.M.
Deposit date:1998-05-06
Release date:1999-05-11
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of cyanovirin-N, a potent HIV-inactivating protein.
Nat.Struct.Biol., 5, 1998
2GAT
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BU of 2gat by Molmil
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
1GIP
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BU of 1gip by Molmil
THE NMR STRUCTURE OF DNA DODECAMER DETERMINED IN AQUEOUS DILUTE LIQUID CRYSTALLINE PHASE
Descriptor: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Authors:Clore, G.M, Kuszewski, J.
Deposit date:2001-02-20
Release date:2001-08-01
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Improving the accuracy of NMR structures of DNA by means of a database potential of mean force describing base-base positional interactions.
J.Am.Chem.Soc., 123, 2001
1J4V
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BU of 1j4v by Molmil
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
1ZRP
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BU of 1zrp by Molmil
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
1B88
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BU of 1b88 by Molmil
V-ALPHA 2.6 MOUSE T CELL RECEPTOR (TCR) DOMAIN
Descriptor: T CELL RECEPTOR V-ALPHA DOMAIN
Authors:Plaksin, D, Chacko, S, Navaza, J, Margulies, D.H, Padlan, E.A.
Deposit date:1999-02-09
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The X-ray crystal structure of a Valpha2.6Jalpha38 mouse T cell receptor domain at 2.5 A resolution: alternate modes of dimerization and crystal packing.
J.Mol.Biol., 289, 1999
1AVV
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BU of 1avv by Molmil
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
1AVZ
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BU of 1avz by Molmil
V-1 NEF PROTEIN IN COMPLEX WITH WILD TYPE FYN SH3 DOMAIN
Descriptor: FYN TYROSINE KINASE, NEGATIVE FACTOR
Authors:Arold, S, Franken, P, Dumas, C.
Deposit date:1997-09-23
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
9FBY
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BU of 9fby by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2024-05-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.853 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., 2024
9FBX
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BU of 9fbx by Molmil
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
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., 2024
2MOR
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BU of 2mor by Molmil
A tensor-free method for the structural and dynamical refinement of proteins using residual dipolar couplings
Descriptor: Ubiquitin
Authors:Camilloni, C, Vendruscolo, M.
Deposit date:2014-04-29
Release date:2014-06-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Tensor-Free Method for the Structural and Dynamical Refinement of Proteins using Residual Dipolar Couplings.
J.Phys.Chem.B, 119, 2015
8B5G
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BU of 8b5g by Molmil
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
8B5H
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BU of 8b5h by Molmil
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
8B5I
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BU of 8b5i by Molmil
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
8B5J
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BU of 8b5j by Molmil
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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數據於2024-06-26公開中

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