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3S2R
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BU of 3s2r by Molmil
ATChloroNEET (H87C mutant)
Descriptor: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER
Authors:livnah, O, Eisenberg-Domovich, Y, nechushtai, R.
Deposit date:2011-05-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
7NDX
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BU of 7ndx by Molmil
Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC
Descriptor: 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC
Authors:Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M.
Deposit date:2021-02-02
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.
Mol.Cell, 82, 2022
4E43
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BU of 4e43 by Molmil
HIV protease (PR) dimer with acetate in exo site and peptide in active site
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2012-03-11
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFR
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BU of 3kfr by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 1F1 in the outside/top of flap
Descriptor: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFP
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BU of 3kfp by Molmil
HIV Protease (PR) with inhibitor TL-3 bound, and DMSOs in exo site
Descriptor: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Protease, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KF0
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BU of 3kf0 by Molmil
HIV Protease with fragment 4D9 bound
Descriptor: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D, Perryman, A.L.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFS
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BU of 3kfs by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 2F4 in the outside/top of flap
Descriptor: 1-benzothiophen-2-ylacetic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2009-10-28
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFN
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BU of 3kfn by Molmil
HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking
Descriptor: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
1AEO
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BU of 1aeo by Molmil
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINOPYRIDINE)
Descriptor: 2-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
1AEQ
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BU of 1aeq by Molmil
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2-ETHYLIMIDAZOLE)
Descriptor: 2-ETHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
1AEN
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BU of 1aen by Molmil
SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-5-METHYLTHIAZOLE)
Descriptor: 2-AMINO-5-METHYLTHIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
2HB2
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BU of 2hb2 by Molmil
Structure of HIV protease 6X mutant in apo form
Descriptor: Protease
Authors:Heaslet, H, Tam, K, Elder, J.H, Stout, C.D.
Deposit date:2006-06-13
Release date:2007-06-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
2HB4
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BU of 2hb4 by Molmil
Structure of HIV Protease NL4-3 in an Unliganded State
Descriptor: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
Authors:Heaslet, H, Tam, K, Elder, J.H, Stout, C.D.
Deposit date:2006-06-13
Release date:2007-06-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
1AET
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BU of 1aet by Molmil
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE)
Descriptor: 1-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-25
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity.
Nat.Struct.Biol., 3, 1996
1AC8
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BU of 1ac8 by Molmil
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (3,4,5-TRIMETHYLTHIAZOLE)
Descriptor: 3,4,5-TRIMETHYL-1,3-THIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B.
Deposit date:1997-02-14
Release date:1997-09-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Variation in strength of an unconventional C-H to O hydrogen bond in an engineered protein cavity
J.Am.Chem.Soc., 119, 1997
2HYK
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BU of 2hyk by Molmil
The crystal structure of an endo-beta-1,3-glucanase from alkaliphilic Nocardiopsis sp.strain F96
Descriptor: Beta-1,3-glucanase, CALCIUM ION, ETHANOL, ...
Authors:Fibriansah, G, Nakamura, S, Kumasaka, T.
Deposit date:2006-08-07
Release date:2007-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The 1.3 A crystal structure of a novel endo-beta-1,3-glucanase of glycoside hydrolase family 16 from alkaliphilic Nocardiopsis sp. strain F96.
Proteins, 69, 2007
2N8S
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BU of 2n8s by Molmil
Solution Structure of the rNedd4 WW1 Domain by NMR
Descriptor: E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2N8T
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BU of 2n8t by Molmil
Solution Structure of the rNedd4 WW2 Domain-Cx43CT Peptide Complex by NMR
Descriptor: Cx43CT Peptide, E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2017-03-22
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2N8U
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BU of 2n8u by Molmil
Solution Structure of the rNedd4 WW2 Domain by NMR
Descriptor: E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
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