5N6C
 
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with NAD and L-Tartrate | | Descriptor: | D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Unterlass, J.E, Basle, A, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-02-14 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH).
Oncotarget, 8, 2017
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7Q2J
 | | Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer | | Descriptor: | Elongin-B, Elongin-C, N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide, ... | | Authors: | Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-10-25 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
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6XTX
 | | CryoEM structure of human CMG bound to ATPgammaS and DNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45 homolog, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | | Authors: | Rzechorzek, N.J, Pellegrini, L. | | Deposit date: | 2020-01-16 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | CryoEM structures of human CMG-ATP gamma S-DNA and CMG-AND-1 complexes.
Nucleic Acids Res., 48, 2020
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5MF0
 | | Crystal structure of Smad4-MH1 bound to the GGCCG site. | | Descriptor: | CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ... | | Authors: | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | | Deposit date: | 2016-11-16 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
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5MQ1
 | | Crystal structure of the BRD7 bromodomain in complex with BI-9564 | | Descriptor: | 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7, ... | | Authors: | Diaz-Saez, L, Martin, L.J, Panagakou, I, Picaud, S, Krojer, T, von Delft, F, Knapp, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-19 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the BRD7 bromodomain in complex with BI-9564
To Be Published
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3GEP
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3GGJ
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5NOZ
 | | Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide | | Descriptor: | 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | | Deposit date: | 2017-04-13 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
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3GJ7
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3GJ4
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6XAU
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3GG5
 | | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | | Descriptor: | PHOSPHATE ION, SULFATE ION, Thymidylate synthase | | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2009-02-27 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
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3GH2
 | | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2009-03-02 | | Release date: | 2010-03-02 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
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3GJ5
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6XML
 | | Human aldolase A I98C | | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | | Authors: | Meneely, K.M, Brewer, K, Lamb, A.L. | | Deposit date: | 2020-06-30 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
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6XMO
 | | Human aldolase A I98F | | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | | Authors: | Meneely, K.M, Lamb, A.L. | | Deposit date: | 2020-06-30 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
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7PPJ
 | | human SLFN5 | | Descriptor: | Schlafen family member 5, ZINC ION | | Authors: | Lammens, K, Metzner, F.J. | | Deposit date: | 2021-09-14 | | Release date: | 2022-01-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structural and biochemical characterization of human Schlafen 5.
Nucleic Acids Res., 50, 2022
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5M24
 | | RARg mutant-S371E | | Descriptor: | (9cis)-retinoic acid, CHLORIDE ION, DODECYL-ALPHA-D-MALTOSIDE, ... | | Authors: | Rochel, N, Sirigu, S. | | Deposit date: | 2016-10-11 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptor gamma.
PLoS ONE, 12, 2017
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6XMH
 | | Human aldolase A wild type | | Descriptor: | Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION | | Authors: | Meneely, K.M, Lamb, A.L. | | Deposit date: | 2020-06-30 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
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3GFC
 | | Crystal Structure of Histone-binding protein RBBP4 | | Descriptor: | Histone-binding protein RBBP4 | | Authors: | Amaya, M.F, Dong, A, Li, Z, He, H, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-26 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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5M23
 | | Modulation of MLL1 Methyltransferase Activity | | Descriptor: | 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide, WD repeat-containing protein 5 | | Authors: | Srinivasan, V. | | Deposit date: | 2016-10-11 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia.
Chem Sci, 8, 2017
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7Q3Z
 | | DNA/RNA binding protein | | Descriptor: | SODIUM ION, Schlafen family member 5, ZINC ION | | Authors: | Huber, E, Lammens, K. | | Deposit date: | 2021-10-29 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and biochemical characterization of human Schlafen 5.
Nucleic Acids Res., 50, 2022
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5LG0
 | | Solution NMR structure of Tryptophan to Alanine mutant of Arkadia RING domain. | | Descriptor: | E3 ubiquitin-protein ligase Arkadia, ZINC ION | | Authors: | Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A. | | Deposit date: | 2016-07-05 | | Release date: | 2017-06-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
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5ODT
 | | Aurora-A in complex with TACC3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, GLYCEROL, ... | | Authors: | Burgess, S.G, Bayliss, R. | | Deposit date: | 2017-07-06 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.021 Å) | | Cite: | Mitotic spindle association of TACC3 requires Aurora-A-dependent stabilization of a cryptic alpha-helix.
EMBO J., 37, 2018
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6X4O
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | | Descriptor: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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