5SGZ
 
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(OC)nc2c(c1)NC(c3c(nc(n23)c4ccccc4Cl)C)=O, micromolar IC50=0.006584 | | Descriptor: | (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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6PUF
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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9JMN
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5SIE
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(c(ccc1O)Cl)[nH]c3c2CN(C3=O)C, micromolar IC50=3.77279 | | Descriptor: | 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Boehringer, M, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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7ER2
 | | Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40 | | Descriptor: | 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2021-05-05 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.662 Å) | | Cite: | Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants.
Acs Med.Chem.Lett., 13, 2022
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5SJ1
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)[S@@](Cc3ncc(c(c3C)OC(C)C)C)=O)ncs4, micromolar IC50=0.333158 | | Descriptor: | 7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Krasso, A, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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1D2Z
 | | THREE-DIMENSIONAL STRUCTURE OF A COMPLEX BETWEEN THE DEATH DOMAINS OF PELLE AND TUBE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DEATH DOMAIN OF PELLE, DEATH DOMAIN OF TUBE | | Authors: | Xiao, T, Towb, P, Wasserman, S.A, Sprang, S.R. | | Deposit date: | 1999-09-28 | | Release date: | 1999-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of a complex between the death domains of Pelle and Tube.
Cell(Cambridge,Mass.), 99, 1999
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6GAW
 | | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the complete 55S ribosome. | | Descriptor: | 12S ribosomal RNA, mitochondrial, 16S ribosomal RNA, ... | | Authors: | Kummer, E, Leibundgut, M, Boehringer, D, Ban, N. | | Deposit date: | 2018-04-13 | | Release date: | 2018-08-22 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
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3OUY
 | | How the CCA-adding Enzyme Selects Adenine Over Cytosine at Position 76 of tRNA | | Descriptor: | 1,2-ETHANEDIOL, CCA-Adding Enzyme, PYROPHOSPHATE 2-, ... | | Authors: | Pan, B.C, Xiong, Y, Steitz, T.A. | | Deposit date: | 2010-09-15 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA.
Science, 330, 2010
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9F60
 | | Structure of the Chlamydomonas reinhardtii respiratory complex IV from respiratory supercomplex | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | | Authors: | Waltz, F, Righetto, R, Kotecha, A, Engel, B.D. | | Deposit date: | 2024-04-30 | | Release date: | 2025-03-12 | | Last modified: | 2025-04-02 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | In-cell architecture of the mitochondrial respiratory chain.
Science, 387, 2025
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5ALW
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-08 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AM0
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-08 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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7BOP
 | | Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus, Mn/GDP-form | | Descriptor: | Alpha-1,2-mannosyltransferase (Ktr4), putative, GLYCEROL, ... | | Authors: | Hira, D, Onoue, T, Oka, T. | | Deposit date: | 2020-03-19 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the core-mannan biosynthesis of cell wall fungal-type galactomannan in Aspergillus fumigatus .
J.Biol.Chem., 295, 2020
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5AM2
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 7-METHYL-2H-ISOQUINOLIN-1-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-08 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5SF9
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(c(n2)C)OCc3nc(cn3C)c4ccccc4, micromolar IC50=0.004192 | | Descriptor: | 2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Groebke-Zbinden, K, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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3TZT
 | | The structure of a protein in glycosyl transferase family 8 from Anaerococcus prevotii. | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Glycosyl transferase family 8 | | Authors: | Cuff, M.E, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-09-27 | | Release date: | 2011-12-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of a protein in glycosyl transferase family 8 from Anaerococcus prevotii.
TO BE PUBLISHED
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3OV7
 | | How the CCA-Adding Enzyme Selects Adenine over Cytosine in Position 76 of tRNA | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CCA-Adding Enzyme, ... | | Authors: | Pan, B.C, Xiong, Y, Steitz, T.A. | | Deposit date: | 2010-09-15 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | How the CCA-Adding Enzyme Selects Adenine over Cytosine at Position 76 of tRNA.
Science, 330, 2010
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5MQF
 | | Cryo-EM structure of a human spliceosome activated for step 2 of splicing (C* complex) | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX8, Cell division cycle 5-like protein, ... | | Authors: | Bertram, K, Hartmuth, K, Kastner, B. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-22 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Cryo-EM structure of a human spliceosome activated for step 2 of splicing.
Nature, 542, 2017
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5JAS
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5SH8
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(cc(n1c2ccccc2)NC(c3c(ccc(n3)C)Nc4cncnc4)=O)C, micromolar IC50=0.007593 | | Descriptor: | 6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Vieira, E, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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8HQI
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Li, W.W, Zhang, J, Li, J. | | Deposit date: | 2022-12-13 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
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5SFP
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c3(cn1c(cc(n1)c2ccccc2)cc3)C(=O)Nc4ccnc(c4)Cl, micromolar IC50=0.036749 | | Descriptor: | (8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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6TDB
 | | Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide | | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ... | | Authors: | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | | Deposit date: | 2019-11-08 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide
To Be Published
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8HQG
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Wang, J, Zhang, J, Li, J. | | Deposit date: | 2022-12-13 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
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8HQH
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-13 | | Release date: | 2023-12-20 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023
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