8C51
| Trypanosoma brucei IMP dehydrogenase (cyto) crystallized in High Five cells revealing native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | Deposit date: | 2023-01-06 | Release date: | 2024-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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5WOF
| 1.65 ANGSTROM STRUCTURE OF THE DYNEIN LIGHT CHAIN 1 FROM PLASMODIUM FALCIPARUM | Descriptor: | Dynein light chain 1, putative | Authors: | Walker, J.R, Lew, J, Amani, M, Alam, Z, Wasney, G, Boulanger, K, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Botchkarev, A, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-02 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Genome-scale Protein Expression and Structural Biology of
Plasmodium Falciparum and Related Apicomplexan Organisms. MOL.BIOCHEM.PARASITOL., 151, 2007
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6WG8
| Fab portion of dupilumab with Crystal Kappa design | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain, GLYCEROL | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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8CD4
| structure of HEX-1 from N. crassa crystallized in cellulo (cytosol), diffracted at 100K and resolved using CrystFEL | Descriptor: | Woronin body major protein | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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8CD6
| structure of HEX-1 (cyto V2) from N. crassa grown in living insect cells, diffracted at 100K and resolved using CrystFEL | Descriptor: | Woronin body major protein | Authors: | Boger, J, Schoenherr, R, Lahey-Rudolph, J.M, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst. Nat Commun, 15, 2024
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6WGJ
| Fab portion of dupilumab with Crystal Kappa design and no interchain disulfide | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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8CMW
| A225L variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A225L variant of the CODH/ACS complex of C. hydrogenoformans To Be Published
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5F1I
| MHC with 9-mer peptide | Descriptor: | 9-mer peptide, Beta2M, MHC class I DLA-88 | Authors: | Liu, J, Chai, Y, QI, J, Gao, G.F. | Deposit date: | 2015-11-30 | Release date: | 2016-11-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.904 Å) | Cite: | Diversified Anchoring Features the Peptide Presentation of DLA-88*50801: First Structural Insight into Domestic Dog MHC Class I J Immunol., 197, 2016
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6X00
| Structure of DbNA(11) peptides bound to H-2Db MHC-I | Descriptor: | Beta-2-microglobulin, Epitope from Neuraminidase Protein (NA-181-191), H-2 class I histocompatibility antigen, ... | Authors: | Farenc, C, Rossjohn, J. | Deposit date: | 2020-05-14 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection. J Immunol., 205, 2020
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5F09
| Structure of inactive GCPII mutant in complex with beta-citryl glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Navratil, M, Pachl, P, Konvalinka, J. | Deposit date: | 2015-11-27 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities. Febs J., 283, 2016
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6QYL
| Structure of MBP-Mcl-1 in complex with compound 8a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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8SY5
| E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dS-BTP base pair in the active site | Descriptor: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Shan, Z, Lyumkis, D, Oh, J, Wang, D. | Deposit date: | 2023-05-24 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase. Nat Commun, 14, 2023
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8SY6
| E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dB-UTP base pair in the active site | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Shan, Z, Lyumkis, D, Oh, J, Wang, D. | Deposit date: | 2023-05-24 | Release date: | 2023-12-27 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase. Nat Commun, 14, 2023
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1Z6G
| Crystal structure of guanylate kinase from Plasmodium falciparum | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, guanylate kinase | Authors: | Mulichak, A.M, Lew, J, Artz, J, Choe, J, Walker, J.R, Zhao, Y, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Gao, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-22 | Release date: | 2005-04-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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8SY7
| E. coli DNA-directed RNA polymerase transcription elongation complex bound the unnatural dB-STP base pair in the active site | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Shan, Z, Lyumkis, D, Oh, J, Wang, D. | Deposit date: | 2023-05-24 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | A unified Watson-Crick geometry drives transcription of six-letter expanded DNA alphabets by E. coli RNA polymerase. Nat Commun, 14, 2023
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8T5M
| SOS2 crystal structure with fragment bound (compound 14) | Descriptor: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-14 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8T5G
| SOS2 co-crystal structure with fragment bound (compound 12) | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ... | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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8T5R
| SOS2 crystal structure with fragment bound (compound 13) | Descriptor: | 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2 | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-14 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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5F1N
| MHC complexed to 11mer peptide | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Peptide from Cytochrome P450 family 1 subfamily B polypeptide 1 | Authors: | Liu, J, Chai, Y, Qi, J, Gao, G.F. | Deposit date: | 2015-11-30 | Release date: | 2016-11-30 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diversified Anchoring Features the Peptide Presentation of DLA-88*50801: First Structural Insight into Domestic Dog MHC Class I J Immunol., 197, 2016
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6JZO
| Structure of the mouse TRPC4 ion channel | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Duan, J, Li, Z, Li, J, Zhang, J. | Deposit date: | 2019-05-03 | Release date: | 2020-10-21 | Last modified: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure of the mouse TRPC4 ion channel To Be Published
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5J1A
| Antigen presenting molecule | Descriptor: | 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a | Authors: | Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F. | Deposit date: | 2016-03-29 | Release date: | 2016-08-03 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | CD1a on Langerhans cells controls inflammatory skin disease. Nat. Immunol., 17, 2016
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6QZ7
| Structure of MBP-Mcl-1 in complex with compound 8b | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6QZB
| Structure of Mcl-1 in complex with compound 8d | Descriptor: | (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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2WL0
| HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | Descriptor: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | Authors: | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | Deposit date: | 2009-06-19 | Release date: | 2009-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells. J.Med.Chem., 53, 2010
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1ZO2
| Structure of nuclear transport factor 2 (Ntf2) from Cryptosporidium parvum | Descriptor: | nuclear transport factor 2 | Authors: | Choe, J, Artz, J.D, Gao, M, Lew, J, Zhao, Y, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2005-05-12 | Release date: | 2005-05-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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