1Q8F
 
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6TW3
 | | HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera | | Descriptor: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION | | Authors: | Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.352 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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5WJE
 | | Crystal structure of Naa80 bound to a bisubstrate analogue | | Descriptor: | Actin N-terminus peptide, CARBOXYMETHYL COENZYME *A, CG8481, ... | | Authors: | Goris, M, Magin, R.S, Marmorstein, R, Arnesen, T. | | Deposit date: | 2017-07-21 | | Release date: | 2018-03-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Structural determinants and cellular environment define processed actin as the sole substrate of the N-terminal acetyltransferase NAA80.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6YYO
 | | Structure of Cathepsin S in complex with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6YYP
 | | Structure of Cathepsin S in complex with Compound 2 | | Descriptor: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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4MMS
 | | Crystal Structure of Prefusion-stabilized RSV F Variant Cav1 at pH 5.5 | | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, SULFATE ION | | Authors: | Mclellan, J.S, Joyce, M.G, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | | Deposit date: | 2013-09-09 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
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4MMR
 | | Crystal Structure of Prefusion-stabilized RSV F Variant Cav1 at pH 9.5 | | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2 | | Authors: | Stewart-Jones, G.B.E, McLellan, J.S, Joyce, M.G, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | | Deposit date: | 2013-09-09 | | Release date: | 2013-11-20 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
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8IY9
 | | Structure of Niacin-GPR109A-G protein complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-04-04 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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6YYQ
 | | Structure of Cathepsin S in complex with Compound 3 | | Descriptor: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6ZHH
 | | Ca2+-ATPase from Listeria Monocytogenes with G4 insertion. | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ... | | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | | Deposit date: | 2020-06-23 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
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1H2O
 | | SOLUTION STRUCTURE OF THE MAJOR CHERRY ALLERGEN PRU AV 1 MUTANT E45W | | Descriptor: | MAJOR ALLERGEN PRU AV 1 | | Authors: | Neudecker, P, Lehmann, K, Nerkamp, J, Schweimer, K, Sticht, H, Boehm, M, Scheurer, S, Vieths, S, Roesch, P. | | Deposit date: | 2002-08-12 | | Release date: | 2003-08-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Mutational Epitope Analysis of Pru Av 1 and Api G 1, the Major Allergens of Cherry (Prunus Avium) and Celery (Apium Graveolens): Correlating Ige Reactivity with Three-Dimensional Structure
Biochem.J., 376, 2003
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6ZHG
 | | Ca2+-ATPase from Listeria Monocytogenes in complex with AlF | | Descriptor: | Calcium-transporting ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION | | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | | Deposit date: | 2020-06-23 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
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8IYH
 | | Structure of MK6892-GPR109A-G-protein complex | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-04-04 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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4MMV
 | | Crystal Structure of Prefusion-stabilized RSV F Variant DS-Cav1-TriC at pH 9.5 | | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2 | | Authors: | Stewart-Jones, G.B.E, McLellan, J.S, Joyce, M.G, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | | Deposit date: | 2013-09-09 | | Release date: | 2013-11-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
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6ZHF
 | | Calcium ATPase-1 from Listeria monocytogenes in complex with BeF | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, MAGNESIUM ION | | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | | Deposit date: | 2020-06-23 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
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7QPF
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-04 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPM
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPQ
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QQ4
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-06 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPV
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | Descriptor: | 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Leonard, P.M, Langgard, M. | | Deposit date: | 2022-01-05 | | Release date: | 2023-04-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QA1
 | | The structure of natural crystals of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated using serial femtosecond crystallography at an X-ray free electron laser | | Descriptor: | Toxin-10 pesticidal protein (Tpp) 49Aa1 | | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R, Best, H.L. | | Deposit date: | 2021-11-15 | | Release date: | 2023-05-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8IYW
 | | Structure of GSK256073-GPR109A-G-protein complex | | Descriptor: | 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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8JHN
 | | Structure of MMF-GPR109A-G protein complex | | Descriptor: | (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid, G protein subunit alpha o1,Guanine nucleotide-binding protein G(o) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-05-24 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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5JAI
 | | Yersinia pestis FabV variant T276G | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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8JER
 | | Structure of Acipimox-GPR109A-G protein complex | | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
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