4UP5
 
 | | Crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a chemical fragment | | Descriptor: | 6-methoxy-1,3-benzothiazol-2-amine, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ... | | Authors: | Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M. | | Deposit date: | 2014-06-12 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger.
Acs Chem.Biol., 9, 2014
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6YO6
 | | Structure of iC3b1 | | Descriptor: | hC3Nb1, iC3b1 alpha chain, iC3b1 beta chain | | Authors: | Jensen, R.K, Andersen, G.R. | | Deposit date: | 2020-04-14 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Complement Receptor 3 Forms a Compact High-Affinity Complex with iC3b.
J Immunol., 206, 2021
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8GYK
 | | CryoEM structure of the RAD51_ADP filament | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 1, MAGNESIUM ION | | Authors: | Miki, Y, Luo, S.C, Ho, M.C. | | Deposit date: | 2022-09-22 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | A RAD51-ADP double filament structure unveils the mechanism of filament dynamics in homologous recombination.
Nat Commun, 14, 2023
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11AS
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4UP0
 | | Ternary crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a H3K4me2 peptide | | Descriptor: | HISTONE H3.1, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ... | | Authors: | Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M. | | Deposit date: | 2014-06-11 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger.
Acs Chem.Biol., 9, 2014
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4UPV
 | | Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-18 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
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4UPE
 | | Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-16 | | Release date: | 2014-10-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
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7OOG
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823 | | Descriptor: | 4-bromanylpyridin-2-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-05-27 | | Release date: | 2021-06-02 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites.
Acta Crystallogr.,Sect.F, 77, 2021
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7P31
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites.
Acta Crystallogr.,Sect.F, 77, 2021
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4URH
 | | High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015
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6TXZ
 | | FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3 | | Descriptor: | Fab H, Fab L, Hepatitis A virus cellular receptor 2 | | Authors: | Musil, D, Sood, V. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody.
Oncoimmunology, 9, 2020
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8FY0
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL) | | Descriptor: | Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ... | | Authors: | Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D. | | Deposit date: | 2023-01-25 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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6XZ2
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8DVN
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
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8DVM
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.6 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
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8DVL
 | | Crystal structure of LRP6 E3E4 in complex with disulfide constrained peptide E3.18 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thakur, A.K, Liau, N.P.D, Sudhamsu, J, Hannoush, R.N. | | Deposit date: | 2022-07-29 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synthetic Multivalent Disulfide-Constrained Peptide Agonists Potentiate Wnt1/ beta-Catenin Signaling via LRP6 Coreceptor Clustering.
Acs Chem.Biol., 18, 2023
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7RKC
 | | Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633 | | Descriptor: | ACETATE ION, D_3_633 | | Authors: | Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K. | | Deposit date: | 2021-07-22 | | Release date: | 2022-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3KYD
 | | Human SUMO E1~SUMO1-AMP tetrahedral intermediate mimic | | Descriptor: | 1,2-ETHANEDIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, SUMO-activating enzyme subunit 1, ... | | Authors: | Lima, C.D. | | Deposit date: | 2009-12-05 | | Release date: | 2010-02-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Active site remodelling accompanies thioester bond formation in the SUMO E1.
Nature, 463, 2010
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7RMY
 | | De Novo designed tunable protein pockets, D_3-337 | | Descriptor: | De Novo designed tunable homodimer, D_3-337 | | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RMX
 | | Structure of De Novo designed tunable symmetric protein pockets | | Descriptor: | Tunable symmetric protein, D_3_212 | | Authors: | Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2AKE
 | | Structure of human tryptophanyl-tRNA synthetase in complex with tRNA(Trp) | | Descriptor: | SULFATE ION, TRYPTOPHAN, Tryptophanyl-tRNA synthetase, ... | | Authors: | Shen, N, Guo, L, Yang, B, Jin, Y, Ding, J. | | Deposit date: | 2005-08-03 | | Release date: | 2006-07-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of human tryptophanyl-tRNA synthetase in complex with tRNA(Trp) reveals the molecular basis of tRNA recognition and specificity
Nucleic Acids Res., 34, 2006
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6VHY
 | | NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca | | Descriptor: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein | | Authors: | Kreitler, D.F, Gulick, A.M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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4HY5
 | | Crystal structure of cIAP1 BIR3 bound to T3256336 | | Descriptor: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Dougan, D.R, Snell, G.P. | | Deposit date: | 2012-11-13 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
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1ZJW
 | | Glutaminyl-tRNA synthetase complexed to glutamine and 2'deoxy A76 glutamine tRNA | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLUTAMINE, Glutaminyl-tRNA, ... | | Authors: | Gruic-Sovulj, I, Uter, N, Bullock, T, Perona, J.J. | | Deposit date: | 2005-05-01 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | tRNA-dependent Aminoacyl-adenylate Hydrolysis by a Nonediting Class I Aminoacyl-tRNA Synthetase.
J.Biol.Chem., 280, 2005
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7B2R
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