8PRM
 
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6TU9
 | | The ROR1 Pseudokinase Domain Bound To Ponatinib | | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Inactive tyrosine-protein kinase transmembrane receptor ROR1 | | Authors: | Mathea, S, Preuss, F, Chatterjee, D, Niininen, W, Ungureanu, D, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2020-01-04 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Mol.Cell, 79, 2020
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4V7H
 | | Structure of the 80S rRNA and proteins and P/E tRNA for eukaryotic ribosome based on cryo-EM map of Thermomyces lanuginosus ribosome at 8.9A resolution | | Descriptor: | 18S rRNA, 26S ribosomal RNA, 40S ribosomal protein S0(A), ... | | Authors: | Taylor, D.J, Devkota, B, Huang, A.D, Topf, M, Narayanan, E, Sali, A, Harvey, S.C, Frank, J. | | Deposit date: | 2009-09-22 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Comprehensive molecular structure of the eukaryotic ribosome.
Structure, 17, 2009
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2X8Y
 | | Crystal structure of AnCE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, CITRATE ANION, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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7KV8
 | | Chimeric flavivirus between Binjari virus and Dengue virus serotype-2 | | Descriptor: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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6TUA
 | | The RYK Pseudokinase Domain | | Descriptor: | SULFATE ION, Tyrosine-protein kinase RYK | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2020-01-04 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Mol.Cell, 79, 2020
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5A08
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6K55
 | | Inactivated mutant (D140A) of Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with hexasaccharide | | Descriptor: | Glucanase, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T. | | Deposit date: | 2019-05-28 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.883 Å) | | Cite: | A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data
To Be Published
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8AOQ
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a | | Descriptor: | (3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION | | Authors: | Maiwald, S, Heim, C, Hartmann, M.D. | | Deposit date: | 2022-08-08 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.
Eur.J.Med.Chem., 246, 2023
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3MES
 | | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Choline kinase, DECAMETHONIUM ION, ... | | Authors: | Qiu, W, Wernimont, A, Hills, T, Lew, J, Artz, J.D, Xiao, T, Allali-Hassani, A, Vedadi, M, Kozieradzki, I, Cossar, D, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Hui, R, Ma, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
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8AOP
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 14r | | Descriptor: | (3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione, Cereblon isoform 4, PHOSPHATE ION, ... | | Authors: | Maiwald, S, Heim, C, Hartmann, M.D. | | Deposit date: | 2022-08-08 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Synthesis of novel glutarimide ligands for the E3 ligase substrate receptor Cereblon (CRBN): Investigation of their binding mode and antiproliferative effects against myeloma cell lines.
Eur.J.Med.Chem., 246, 2023
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2WR0
 | | Structures of influenza H2 Hemagglutinins | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | | Authors: | Liu, J, Stevens, D, Haire, L, Coombs, P, Russell, R, Gamblin, S, Skehel, J. | | Deposit date: | 2009-08-28 | | Release date: | 2009-09-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6T76
 | | PII-like protein CutA from Nostoc sp. PCC 7120 in apo form | | Descriptor: | Periplasmic divalent cation tolerance protein, SULFATE ION | | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
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5K4X
 | | M. thermoresistible IMPDH in complex with IMP and Compound 1 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | | Deposit date: | 2016-05-22 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
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6O8L
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1BNL
 | | ZINC DEPENDENT DIMERS OBSERVED IN CRYSTALS OF HUMAN ENDOSTATIN | | Descriptor: | COLLAGEN XVIII, ZINC ION | | Authors: | Ding, Y.-H, Javaherian, K, Lo, K.-M, Chopra, R, Boehm, T, Lanciotti, J, Harris, B.A, Li, Y, Shapiro, R, Hohenester, E, Timpl, R, Folkman, J, Wiley, D.C. | | Deposit date: | 1998-07-30 | | Release date: | 1998-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Zinc-dependent dimers observed in crystals of human endostatin.
Proc.Natl.Acad.Sci.USA, 95, 1998
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5I0J
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6OPF
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6D3Q
 | | Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312. | | Descriptor: | Enolase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D. | | Deposit date: | 2018-04-16 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
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6O5O
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5IIW
 | | Corkscrew assembly of SOD1 residues 28-38 without potassium iodide | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Sangwan, S, Zhao, A, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Atomic structure of a toxic, oligomeric segment of SOD1 linked to amyotrophic lateral sclerosis (ALS).
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TF6
 | | Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core | | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | | Authors: | Montemayor, E.J, Brow, D.A, Butcher, S.E. | | Deposit date: | 2016-09-24 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core.
Acta Crystallogr D Struct Biol, 73, 2017
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8TO0
 | | 48-nm repeating structure of doublets from mouse sperm flagella | | Descriptor: | Cilia- and flagella- associated protein 210, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | | Authors: | Chen, Z, Shiozak, M, Hass, K.M, Skinner, W, Zhao, S, Guo, C, Polacco, B.J, Yu, Z, Krogan, N.J, Kaake, R.M, Vale, R.D, Agard, D.A. | | Deposit date: | 2023-08-02 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | De novo protein identification in mammalian sperm using in situ cryoelectron tomography and AlphaFold2 docking.
Cell, 186, 2023
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8JCC
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5G5V
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 | | Descriptor: | (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2016-06-06 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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