6TKF
| ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2 | Descriptor: | ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S | Authors: | Orr, C.M, Fisher, H, Tews, I. | Deposit date: | 2019-11-28 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol, 7, 2022
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6TKM
| Tankyrase 2 in complex with an inhibitor (OM-1800) | Descriptor: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2019-11-28 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKN
| Tankyrase 2 in complex with an inhibitor (OM-1000) | Descriptor: | Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2019-11-28 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKP
| Tankyrase 2 in complex with an inhibitor (OM-1900) | Descriptor: | Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2019-11-28 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKQ
| Tankyrase 2 in complex with an inhibitor (OM-2700) | Descriptor: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2019-11-28 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKR
| Tankyrase 2 in complex with an inhibitor (OM-1704) | Descriptor: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2019-11-28 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKS
| Tankyrase 2 in complex with an inhibitor (OM-1720) | Descriptor: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2019-11-28 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKZ
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6TLU
| HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5-DIBROMOBENZOTRIAZOLE | Descriptor: | 6,7-bis(bromanyl)-1~{H}-benzotriazole, Casein kinase II subunit alpha, SODIUM ION | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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6TM4
| NatL2 in complex with two molecules of salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Naismith, J.H, Song, H. | Deposit date: | 2019-12-03 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility. Angew.Chem.Int.Ed.Engl., 59, 2020
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6TMG
| Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, membrane region model | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATPTG1, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-16 | Last modified: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria. Nat Commun, 12, 2021
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6TMJ
| Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, rotor-stator model | Descriptor: | ATP synthase subunit delta, ATP synthase subunit epsilon, ATP synthase subunit gamma, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria. Nat Commun, 12, 2021
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6TMK
| Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, composite model | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-16 | Last modified: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria. Nat Commun, 12, 2021
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6TML
| Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase hexamer, composite model | Descriptor: | ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-16 | Last modified: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria. Nat Commun, 12, 2021
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6TMM
| BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A) | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Chiarini, V, Ilari, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-16 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural basis of ubiquitination mediated by protein splicing in early Eukarya. Biochim Biophys Acta Gen Subj, 1865, 2021
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6TMP
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.076 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TMQ
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TMZ
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN0
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN1
| Unliganded Crystal Structure of Recombinant GBA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2019-12-05 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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6TN2
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, ... | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.768 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN4
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, Heat shock protein HSP 90-alpha | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TN5
| Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | CHLORIDE ION, Heat shock protein HSP 90-alpha, ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6TNL
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6TNU
| Yeast 80S ribosome in complex with eIF5A and decoding A-site and P-site tRNAs. | Descriptor: | 18S rRNA, 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R. | Deposit date: | 2019-12-10 | Release date: | 2020-04-22 | Last modified: | 2020-04-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | The Ccr4-Not complex monitors the translating ribosome for codon optimality. Science, 368, 2020
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