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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
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
6MVL
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BU of 6mvl by Molmil
Crystal structure of VISTA bound to a pH-selective antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Critton, D.A.
Deposit date:2018-10-26
Release date:2019-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:VISTA is an acidic pH-selective ligand for PSGL-1.
Nature, 574, 2019
6N4X
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BU of 6n4x by Molmil
Metabotropic Glutamate Receptor 5 Apo Form Ligand Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 5
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
6N4Y
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BU of 6n4y by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.262 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
2ABJ
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BU of 2abj by Molmil
Crystal structure of human branched chain amino acid transaminase in a complex with an inhibitor, C16H10N2O4F3SCl, and pyridoxal 5' phosphate.
Descriptor: Branched-chain-amino-acid aminotransferase, cytosolic, N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE, ...
Authors:Ohren, J.F, Moreland, D.W, Rubin, J.R, Hu, H.L, McConnell, P.C, Mistry, A, Mueller, W.T, Scholten, J.D, Hasemann, C.H.
Deposit date:2005-07-15
Release date:2006-06-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases.
Bioorg.Med.Chem.Lett., 16, 2006
5EVM
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BU of 5evm by Molmil
Crystal Structure of Nipah Virus Fusion Glycoprotein in the Prefusion State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MALONATE ION, ...
Authors:Xu, K, Nikolov, D.B.
Deposit date:2015-11-20
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.367 Å)
Cite:Crystal Structure of the Pre-fusion Nipah Virus Fusion Glycoprotein Reveals a Novel Hexamer-of-Trimers Assembly.
Plos Pathog., 11, 2015
4O6D
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BU of 4o6d by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2013-12-20
Release date:2014-02-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5936 Å)
Cite:Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4O6B
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BU of 4o6b by Molmil
Dengue Type2 Virus Non-structural protein 1 (NS1) Form 1 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1
Authors:Akey, D.L, Smith, J.L.
Deposit date:2013-12-20
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.0005 Å)
Cite:Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4O6C
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BU of 4o6c by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 2 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NS1, SULFATE ION
Authors:Akey, D.L, Smith, J.L.
Deposit date:2013-12-20
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7508 Å)
Cite:Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
4GNK
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BU of 4gnk by Molmil
Crystal structure of Galphaq in complex with full-length human PLCbeta3
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Lyon, A.M, Tesmer, J.J.G.
Deposit date:2012-08-17
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Full-length G alpha (q)-phospholipase C-beta 3 structure reveals interfaces of the C-terminal coiled-coil domain.
Nat.Struct.Mol.Biol., 20, 2013
2MCA
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BU of 2mca by Molmil
NMR structure of the protein YP_002937094.1 from Eubacterium rectale
Descriptor: Uncharacterized protein
Authors:Proudfoot, A, Serrano, P, Geralt, M, Dutta, S, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2013-08-19
Release date:2013-09-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure of the protein YP_002937094.1 from Eubacterium rectale
To be Published
2MCT
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BU of 2mct by Molmil
NMR structure of the protein ZP_02042476.1 from Ruminococcus gnavus
Descriptor: Uncharacterized protein
Authors:Martin, B.T, Serrano, P, Geralt, M, Dutta, S, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure of the protein ZP_02042476.1 from Ruminococcus gnavus.
To be Published
8AV8
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BU of 8av8 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075300)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-06
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
8ARW
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BU of 8arw by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076402)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 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
8AR5
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BU of 8ar5 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080265)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-15
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
8AS1
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BU of 8as1 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076398)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 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
8ALT
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BU of 8alt by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075311)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.V, Ottmann, C.
Deposit date:2022-08-01
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
8AUY
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BU of 8auy by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1080298)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 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
8AM7
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BU of 8am7 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076397)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 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
8AQC
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BU of 8aqc by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080294)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-12
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 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
8AR4
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BU of 8ar4 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080300)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-15
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 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
8ARQ
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BU of 8arq by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080266)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone, Estrogen receptor, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
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
8ARR
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BU of 8arr by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076394)
Descriptor: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
Authors:Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-17
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 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

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