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1W53
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BU of 1w53 by Molmil
Kinase recruitment domain of the stress phosphatase RsbU
Descriptor: GLYCEROL, PHOSPHOSERINE PHOSPHATASE RSBU, XENON
Authors:Delumeau, O, Dutta, S, Brigulla, M, Kuhnke, G, Hardwick, S.W, Voelker, U, Yudkin, M.D, Lewis, R.J.
Deposit date:2004-08-05
Release date:2004-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional and Structural Characterization of Rsbu, a Stress Signaling Protein Phosphatase 2C
J.Biol.Chem., 279, 2004
8AXE
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BU of 8axe by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1074210)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-31
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AZE
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BU of 8aze by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075306)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, ERalpha peptide, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-09-06
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AWG
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BU of 8awg by Molmil
small molecule stabilizer for ERalpha and 14-3-3 (1074202)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-29
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8ANF
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BU of 8anf by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1074359)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-05
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AOY
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BU of 8aoy by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075478)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-09
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AXU
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BU of 8axu by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1075297)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-09-01
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
5ZS6
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BU of 5zs6 by Molmil
Dodecameric structure of a small Heat Shock Protein from Mycobacterium marinum M: Form-2
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLY-ARG-LEU-LEU, ...
Authors:Bhandari, S, Suguna, K.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81191349 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
5ZS3
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BU of 5zs3 by Molmil
Small heat shock protein from M. marinum:Form-1
Descriptor: CHLORIDE ION, GLY-ARG-LEU-LEU-PRO, Molecular chaperone (Small heat shock protein), ...
Authors:Bhandari, S, Suguna, K.
Deposit date:2018-04-27
Release date:2019-01-30
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
5ZUL
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BU of 5zul by Molmil
Small heat shock protein from Mycobacterium marinum M : Form-3
Descriptor: Small heat shock protein
Authors:Bhandari, S, Suguna, K.
Deposit date:2018-05-08
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
7CK4
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BU of 7ck4 by Molmil
Structural and functional analysis of small heat shock protein from Synechococcus phage S-ShM2
Descriptor: Heat shock protein
Authors:Biswas, S, Suguna, K.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (7 Å)
Cite:Multiple nanocages of a cyanophage small heat shock protein with icosahedral and octahedral symmetries.
Sci Rep, 11, 2021
5JQ1
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BU of 5jq1 by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5JPV
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BU of 5jpv by Molmil
Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
8C4F
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BU of 8c4f by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ037)
Descriptor: 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2023-01-03
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C4G
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BU of 8c4g by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ132)
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2023-01-03
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8IXH
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BU of 8ixh by Molmil
Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site
Descriptor: (3S)-3-methyl-2-oxopentanoic acid, 2-dehydropantoate 2-reductase, GLYCEROL
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-04-01
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:KEtopantoate reductase of Pseudomonas
To Be Published
8IX9
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BU of 8ix9 by Molmil
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH
Descriptor: 2-dehydropantoate 2-reductase, FORMIC ACID, GLYCEROL, ...
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:KEtopantoate reductase of Pseudomonas
To Be Published
8IXM
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BU of 8ixm by Molmil
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase ternary complex with NADP+ and alpha-Ketoisocaproic acid
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-dehydropantoate 2-reductase, ...
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-04-01
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:KEtopantoate reductase of Pseudomonas
To Be Published
8IWG
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BU of 8iwg by Molmil
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase native structure
Descriptor: 2-dehydropantoate 2-reductase, GLYCEROL
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-03-29
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:KEtopantoate reductase of Pseudomonas
To Be Published
8IWQ
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BU of 8iwq by Molmil
Pseudomoans Aerugiona Native Ketopantoate Reductase with glycerol
Descriptor: 2-dehydropantoate 2-reductase, GLYCEROL
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-03-30
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Ketopantoate reductase
To Be Published
7RXJ
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BU of 7rxj by Molmil
Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab236 heavy chain, Fab236 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXP
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BU of 7rxp by Molmil
Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXI
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BU of 7rxi by Molmil
Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7S0X
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BU of 7s0x by Molmil
Fab352 in complex with the C-terminal alphaTSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab352 heavy chain, Fab352 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-31
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXL
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BU of 7rxl by Molmil
Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022

220472

数据于2024-05-29公开中

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