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6CUR
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BU of 6cur by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6CUO
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BU of 6cuo by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
6D37
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BU of 6d37 by Molmil
Trp-cage tr16b R16Nva : Elimination of pH Dependent Interactions
Descriptor: ALA-TYR-ALA-GLN-TRP-LEU-ALA-ASP-DAL-GLY-PRO-ALA-SER-DAL-NVA-PRO-PRO-PRO-SER
Authors:Byrne, A, Andersen, N.H.
Deposit date:2018-04-14
Release date:2019-03-13
Last modified:2019-12-04
Method:SOLUTION NMR
Cite:Reversing the typical pH stability profile of the Trp-cage.
Biopolymers, 110, 2019
6D8E
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BU of 6d8e by Molmil
Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor
Descriptor: (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate, Epidermal growth factor receptor
Authors:Park, E, Eck, M.J.
Deposit date:2018-04-26
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.537 Å)
Cite:Discovery of a Highly Potent and Broadly Effective Epidermal Growth Factor Receptor and HER2 Exon 20 Insertion Mutant Inhibitor.
Angew. Chem. Int. Ed. Engl., 57, 2018
5WUX
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BU of 5wux by Molmil
TNFalpha-certolizumab Fab
Descriptor: Tumor necrosis factor alpha, heavy, light
Authors:Heo, Y.S, Lee, J.U.
Deposit date:2016-12-21
Release date:2017-06-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Basis for the Neutralization of Tumor Necrosis Factor alpha by Certolizumab Pegol in the Treatment of Inflammatory Autoimmune Diseases
Int J Mol Sci, 18, 2017
5WFO
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BU of 5wfo by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFP
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BU of 5wfp by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WFQ
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BU of 5wfq by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5X2E
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BU of 5x2e by Molmil
Crystal structure of Calmodulin like domain of CsTAL3 (1-81aa)
Descriptor: CALCIUM ION, Tegumental protein 20.8 kDa
Authors:Jo, C.H, Hwang, K.Y.
Deposit date:2017-01-31
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Structural insights into a 20.8-kDa tegumental-allergen-like (TAL) protein from Clonorchis sinensis
Sci Rep, 7, 2017
5X2D
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BU of 5x2d by Molmil
Crystal structure of DLC like domain of CsTAL3 (83-177aa)
Descriptor: Tegumental protein 20.8 kDa
Authors:Jo, C.H, Hwang, K.Y.
Deposit date:2017-01-31
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into a 20.8-kDa tegumental-allergen-like (TAL) protein from Clonorchis sinensis
Sci Rep, 7, 2017
5WFR
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BU of 5wfr by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5X6Q
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BU of 5x6q by Molmil
Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048
Descriptor: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-23
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X6R
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BU of 5x6r by Molmil
Crystal structure of Saccharomyces cerevisiae KMO in complex with Ro 61-8048
Descriptor: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-23
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X68
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BU of 5x68 by Molmil
Crystal Structure of Human KMO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-21
Release date:2018-02-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X6P
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BU of 5x6p by Molmil
Crystal structure of Pseudomonas fluorescens KMO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-22
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5XJH
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BU of 5xjh by Molmil
Crystal structure of PETase from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Joo, S, Kim, K.-J.
Deposit date:2017-05-01
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation.
Nat Commun, 9, 2018
5Y9J
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BU of 5y9j by Molmil
BAFF in complex with belimumab
Descriptor: Tumor necrosis factor ligand superfamily member 13B, belibumab light chain, belimumab heavy chain
Authors:Heo, Y.-S, Shin, W.
Deposit date:2017-08-25
Release date:2018-02-21
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:BAFF-neutralizing interaction of belimumab related to its therapeutic efficacy for treating systemic lupus erythematosus.
Nat Commun, 9, 2018
5YC1
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BU of 5yc1 by Molmil
TRAF4_GPIb complex
Descriptor: GPIb peptide, TNF receptor-associated factor 4
Authors:Park, H.H, Kim, C.M.
Deposit date:2017-09-06
Release date:2017-10-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Molecular basis for unique specificity of human TRAF4 for platelets GPIb beta and GPVI
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y9K
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BU of 5y9k by Molmil
Structure of the belimumab Fab fragment
Descriptor: belimumab heavy chain, belimumab light chain
Authors:Heo, Y.-S, Shin, W.
Deposit date:2017-08-25
Release date:2018-02-21
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:BAFF-neutralizing interaction of belimumab related to its therapeutic efficacy for treating systemic lupus erythematosus.
Nat Commun, 9, 2018
5YNS
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BU of 5yns by Molmil
Crystal structure of PETase R280A mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Joo, S, Kim, K.-J.
Deposit date:2017-10-25
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation.
Nat Commun, 9, 2018
5ZYN
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BU of 5zyn by Molmil
Fumarate reductase
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase 2, ...
Authors:Park, H.H, Kim, C.M.
Deposit date:2018-05-25
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular basis of maintaining an oxidizing environment under anaerobiosis by soluble fumarate reductase.
Nat Commun, 9, 2018
6A4V
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BU of 6a4v by Molmil
Open Reading frame 49
Descriptor: 49 protein
Authors:Hwang, K.Y, Song, M.J, Kim, J.S, Cheong, W.C.
Deposit date:2018-06-21
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based mechanism of action of a viral poly(ADP-ribose) polymerase 1-interacting protein facilitating virus replication.
Iucrj, 5, 2018
6EIE
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BU of 6eie by Molmil
Ras guanine nucleotide exchange factor SOS2 (Rem-cdc25), with surface mutations
Descriptor: Son of sevenless homolog 2
Authors:Hillig, R.C, Moosmayer, D, Mastouri, J.
Deposit date:2017-09-19
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2PRJ
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BU of 2prj by Molmil
Binding of N-acetyl-beta-D-glucopyranosylamine to Glycogen Phosphorylase B
Descriptor: GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, N-acetyl-beta-D-glucopyranosylamine, ...
Authors:Oikonomakos, N.G, Kontou, M, Zographos, S.E, Watson, K.A, Johnson, L.N, Bichard, C.J.F, Fleet, G.W.J, Acharya, K.R.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-acetyl-beta-D-glucopyranosylamine: a potent T-state inhibitor of glycogen phosphorylase. A comparison with alpha-D-glucose.
Protein Sci., 4, 1995
4URV
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BU of 4urv by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ...
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015

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