7PC4
 
 | | The PDZ domain of SNTB1 complexed with the PDZ-binding motif of HTLV1-TAX1 | | Descriptor: | 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ... | | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | | Deposit date: | 2021-08-03 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
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7OO7
 | | KRasG12C ligand complex | | Descriptor: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ... | | Authors: | Phillips, C. | | Deposit date: | 2021-05-26 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
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7PCB
 | | The PDZ domain of SNX27 fused with ANXA2 | | Descriptor: | CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2 | | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | | Deposit date: | 2021-08-03 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
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7PC9
 | | The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 | | Descriptor: | CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2 | | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | | Deposit date: | 2021-08-03 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
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7PC7
 | | The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of PTEN | | Descriptor: | CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ... | | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | | Deposit date: | 2021-08-03 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
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7PC3
 | | The second PDZ domain of DLG1 complexed with the PDZ-binding motif of HTLV1-TAX1 | | Descriptor: | CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ... | | Authors: | Cousido-Siah, A, Trave, G, Gogl, G. | | Deposit date: | 2021-08-03 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
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8BET
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7PB8
 | | Crystal structure of the CENP-OPQUR complex | | Descriptor: | Centromere protein O, Centromere protein P, Centromere protein Q, ... | | Authors: | Bellini, D, Yatskevich, S, Muir, K.W, Barford, D. | | Deposit date: | 2021-07-31 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.68 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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8BES
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7PB4
 | | Cenp-HIK 3-protein complex | | Descriptor: | Centromere protein H, Centromere protein I, Centromere protein K | | Authors: | Bellini, D, Yatskevich, S, Muir, W.K, Barford, D. | | Deposit date: | 2021-07-30 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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7AKK
 | | Structure of a complement factor-receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | | Authors: | Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C. | | Deposit date: | 2020-10-01 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.395 Å) | | Cite: | The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor
Nat Commun, 13, 2022
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1AJG
 | | CARBONMONOXY MYOGLOBIN AT 40 K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Teng, T.Y, Srajer, V, Moffat, K. | | Deposit date: | 1997-05-02 | | Release date: | 1997-11-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Photolysis-induced structural changes in single crystals of carbonmonoxy myoglobin at 40 K.
Nat.Struct.Biol., 1, 1994
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6Q6J
 | | Human phosphoserine phosphatase with substrate analogue homo-cysteic acid | | Descriptor: | (2~{S})-2-azanyl-4-sulfo-butanoic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wouters, J, Haufroid, M, Mirgaux, M. | | Deposit date: | 2018-12-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase.
Acta Crystallogr D Struct Biol, 75, 2019
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7OOZ
 | | Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzyloxo-2-chloropurine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzyloxo-2-chloropurine, GLYCEROL, ... | | Authors: | Narczyk, M, Stefanic, Z. | | Deposit date: | 2021-05-28 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
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8BEQ
 | | Structure of fructofuranosidase from Rhodotorula dairenensis | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | | Deposit date: | 2022-10-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential.
Int J Mol Sci, 23, 2022
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8BEU
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7P0K
 | | Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | | Descriptor: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | | Deposit date: | 2021-06-29 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
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7O2C
 | | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035 | | Descriptor: | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Steuber, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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7ODH
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7OC5
 | | Alpha-humulene synthase AsR6 from Sarocladium schorii | | Descriptor: | Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION | | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | Deposit date: | 2021-04-26 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7O2A
 | | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15 | | Descriptor: | (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Steuber, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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7OC6
 | | Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii | | Descriptor: | Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ... | | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | Deposit date: | 2021-04-26 | | Release date: | 2021-07-07 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7OG7
 | | Crystal structure of the copper chaperone NosL from Shewanella denitrificans | | Descriptor: | ACETONITRILE, COPPER (I) ION, NosL, ... | | Authors: | Prasser, B, Schoener, L, Zhang, L, Einsle, O. | | Deposit date: | 2021-05-06 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7O2B
 | | X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6 | | Descriptor: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Steuber, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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7ODG
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