4I0T
 
 | | Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide | | Descriptor: | N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Kuglstatter, A, Slade, M. | | Deposit date: | 2012-11-19 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
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4R68
 | | Lactate Dehydrogenase in complex with inhibitor compound 31 | | Descriptor: | (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2014-08-22 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
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8W8K
 | | Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation | | Descriptor: | 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Xu, C, Zhang, X.L, Bai, F. | | Deposit date: | 2023-09-03 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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8W4V
 | | Crystal structure of human HSP90 in complex with compound 4 | | Descriptor: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Xu, C, Zhang, X.L, Bai, F. | | Deposit date: | 2023-08-25 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies.
Jacs Au, 4, 2024
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6J9D
 | | Babesia microti lactate dehydrogenase R99A (BmLDHR99A) | | Descriptor: | L-lactate dehydrogenase | | Authors: | Yu, L. | | Deposit date: | 2019-01-22 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.904 Å) | | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
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8I4S
 | | the complex structure of SARS-CoV-2 Mpro with D8 | | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | | Authors: | Lu, M. | | Deposit date: | 2023-01-21 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
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4RE1
 | | Crystal structure of human TEAD1 and disulfide-engineered YAP | | Descriptor: | CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog | | Authors: | Xu, Z, Zhou, Z. | | Deposit date: | 2014-09-21 | | Release date: | 2014-11-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides.
Faseb J., 29, 2015
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7DBI
 | | Crystal structure of the peroxisomal acyl-CoA hydrolase MpaH | | Descriptor: | acyl-CoA hydrolase MpaH' | | Authors: | Li, S.Y, You, C. | | Deposit date: | 2020-10-20 | | Release date: | 2021-04-28 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural basis for substrate specificity of the peroxisomal acyl-CoA hydrolase MpaH' involved in mycophenolic acid biosynthesis.
Febs J., 288, 2021
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7DBL
 | | Acyl-CoA hydrolase MpaH' mutant S139A in complex with MPA | | Descriptor: | MYCOPHENOLIC ACID, acyl-CoA hydrolase MpaH' | | Authors: | Li, S.Y, You, C. | | Deposit date: | 2020-10-20 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for substrate specificity of the peroxisomal acyl-CoA hydrolase MpaH' involved in mycophenolic acid biosynthesis.
Febs J., 288, 2021
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4L23
 | | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103 | | Descriptor: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | | Deposit date: | 2013-06-04 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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8IXD
 | | GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin non-seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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8IXA
 | | GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin non-seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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8IXF
 | | GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin non-seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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4QO8
 | | Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 | | Descriptor: | (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2014-06-19 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
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6NW9
 | | CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120 | | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... | | Authors: | Greenfield, J.Y, Herzberg, O. | | Deposit date: | 2019-02-06 | | Release date: | 2019-06-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3).
Sci Rep, 9, 2019
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7XPZ
 | | Structure of Apo-hSLC19A1 | | Descriptor: | Reduced folate transporter | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-05-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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7XQ0
 | | Structure of hSLC19A1+3'3'-CDA | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Reduced folate transporter | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-05-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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7XQ2
 | | Structure of hSLC19A1+2'3'-cGAMP | | Descriptor: | Reduced folate transporter, cGAMP | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-05-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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7XQ1
 | | Structure of hSLC19A1+2'3'-CDAS | | Descriptor: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, Reduced folate transporter | | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | | Deposit date: | 2022-05-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
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6K13
 | | Crystal Structure Basis for BmLDH Complex | | Descriptor: | L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID | | Authors: | Long, Y, Shen, Z. | | Deposit date: | 2019-05-09 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
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7XHO
 | | Structure of human inner kinetochore CCAN complex | | Descriptor: | CENP-W, Centromere protein C, Centromere protein H, ... | | Authors: | Tian, T, Wang, C.L, Yang, Z.S, Sun, L.F, Zang, J.Y. | | Deposit date: | 2022-04-09 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
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4N0O
 | | Complex structure of Arterivirus nonstructural protein 10 (helicase) with DNA | | Descriptor: | CALCIUM ION, DNA, Replicase polyprotein 1ab, ... | | Authors: | Deng, Z, Chen, Z. | | Deposit date: | 2013-10-02 | | Release date: | 2014-01-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
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7X4I
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7XHN
 | | Structure of human inner kinetochore CCAN-DNA complex | | Descriptor: | CENP-W, Centromere protein C, Centromere protein H, ... | | Authors: | Sun, L.F, Tian, T, Wang, C.L, Yang, Z.S, Zang, J.Y. | | Deposit date: | 2022-04-09 | | Release date: | 2023-01-25 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
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6K12
 | | Babesia microti lactate dehydrogenase apo form (BmLDH) | | Descriptor: | L-lactate dehydrogenase | | Authors: | Long, Y. | | Deposit date: | 2019-05-09 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
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