6XZ2
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7Q96
| Keap1 compound complex | Descriptor: | 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Johansson, P. | Deposit date: | 2021-11-12 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.415 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7Q6S
| Keap1 compound complex | Descriptor: | (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Johansson, P. | Deposit date: | 2021-11-09 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7Q6Q
| Keap1 compound complex | Descriptor: | (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Johansson, P. | Deposit date: | 2021-11-09 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7Q5H
| Keap1 compound complex | Descriptor: | (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Johansson, P. | Deposit date: | 2021-11-03 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7Q8R
| Keap1 compound complex | Descriptor: | 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Johansson, P. | Deposit date: | 2021-11-11 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.282 Å) | Cite: | Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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3M5D
| Crystal structure of N-acetyl-L-ornithine transcarbamylase K302R mutant complexed with PALAO | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | Deposit date: | 2010-03-12 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase. Biochemistry, 49, 2010
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5JGI
| X-ray structure of neuropilin-1 b1 domain complexed with M45 compound | Descriptor: | N-ALPHA-L-ACETYL-ARGININE, Neuropilin-1 | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | Deposit date: | 2016-04-20 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
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6Q63
| BT0459 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, CALCIUM ION, ... | Authors: | Basle, A, Crouch, L, Bolam, D. | Deposit date: | 2018-12-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci. Nat Microbiol, 4, 2019
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4FN9
| X-ray Crystal structure of the Ancestral 3-keto steroid receptor - Progesterone complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... | Authors: | Colucci, J.K, Ortlund, E.A, Thornton, J.W. | Deposit date: | 2012-06-19 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Evolution of minimal specificity and promiscuity in steroid hormone receptors. PLoS Genet., 8, 2012
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4FNE
| X-ray Crystal structure of the Ancestral 3-keto steroid receptor - DOC complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESOXYCORTICOSTERONE, ... | Authors: | Ortlund, E.A, Colucci, J.K, Thornton, J, Eick, G, Harms, M. | Deposit date: | 2012-06-19 | Release date: | 2012-12-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Evolution of minimal specificity and promiscuity in steroid hormone receptors. PLoS Genet, 8, 2012
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7AJU
| Cryo-EM structure of the 90S-exosome super-complex (state Post-A1-exosome) | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | Authors: | Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E. | Deposit date: | 2020-09-29 | Release date: | 2020-12-30 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome. Mol.Cell, 81, 2021
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7AJT
| Cryo-EM structure of the 90S-exosome super-complex (state Pre-A1-exosome) | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | Authors: | Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E. | Deposit date: | 2020-09-29 | Release date: | 2020-12-30 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome. Mol.Cell, 81, 2021
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6OZD
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6P45
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4EG6
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325 | Descriptor: | 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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5FZG
| Crystal structure of the catalytic domain of human JARID1B in complex with MC3948 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948 To be Published
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6PL9
| Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL | Descriptor: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ... | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2019-06-30 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew.Chem.Int.Ed.Engl., 2021
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4EG5
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1312 | Descriptor: | 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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6POL
| Crystal structure of the human NELL1 EGF1-3-Robo3 FN1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, J, Pak, J.S, Ozkan, E. | Deposit date: | 2019-07-04 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance. Nat Commun, 11, 2020
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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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3H0J
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6XNX
| Structure of RAG1 (R848M/E649V)-RAG2-DNA Strand Transfer Complex (Dynamic-Form) | Descriptor: | 12RSS integration strand DNA (55-MER), 12RSS signal top strand DNA (34-MER), 23RSS integration strand DNA (66-MER), ... | Authors: | Zhang, Y, Corbett, E, Wu, S, Schatz, D.G. | Deposit date: | 2020-07-05 | Release date: | 2020-08-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for the activation and suppression of transposition during evolution of the RAG recombinase. Embo J., 39, 2020
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6XNZ
| Structure of RAG1 (R848M/E649V)-RAG2-DNA Target Capture Complex | Descriptor: | 12RSS integration strand (34-mer), 12RSS non-integration strand (34-mer), 23RSS integration strand (45-mer), ... | Authors: | Zhang, Y, Corbett, E, Wu, S, Schatz, D.G. | Deposit date: | 2020-07-05 | Release date: | 2020-08-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for the activation and suppression of transposition during evolution of the RAG recombinase. Embo J., 39, 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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