6ULJ
 
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-08 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
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6UMF
 | | Crystal structure of human GAC in complex with inhibitor UPGL00012 | | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide | | Authors: | Huang, Q, Cerione, R.A. | | Deposit date: | 2019-10-09 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
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4CFW
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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6UK6
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3GTA
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
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4XWW
 | | Crystal structure of RNase J complexed with RNA | | Descriptor: | DR2417, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y. | | Deposit date: | 2015-01-29 | | Release date: | 2015-12-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J
Nucleic Acids Res., 43, 2015
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2RL5
 | | Crystal structure of the VEGFR2 kinase domain in complex with a 2,3-dihydro-1,4-benzoxazine inhibitor | | Descriptor: | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Rose, P, Zhao, H. | | Deposit date: | 2007-10-18 | | Release date: | 2008-04-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.
J.Med.Chem., 51, 2008
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7TBF
 | | Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ... | | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | | Deposit date: | 2021-12-21 | | Release date: | 2022-03-30 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
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7TB8
 | | Cryo-EM structure of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | | Deposit date: | 2021-12-21 | | Release date: | 2022-03-30 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
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7TCA
 | | Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ... | | Authors: | Zhou, T, Kwong, P.D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-03-30 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
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7TCC
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7TC9
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4HT8
 | | Crystal structure of E coli Hfq bound to poly(A) A7 | | Descriptor: | Protein hfq, RNA (5'-R(*AP*AP*AP*AP*AP*AP*A)-3') | | Authors: | Wang, W.W, Wang, L.J. | | Deposit date: | 2012-11-01 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hfq-bridged ternary complex is important for translation activation of rpoS by DsrA.
Nucleic Acids Res., 41, 2013
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7DZ2
 | | Crystal structures of D-allulose 3-epimerase from Sinorhizobium fredii | | Descriptor: | D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-01-23 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
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7DZ3
 | | Crystal structures of D-allulose 3-epimerase with D-fructose from Sinorhizobium fredii | | Descriptor: | D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-01-23 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
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7DZ4
 | | Crystal structures of D-allulose 3-epimerase with D-tagatose from Sinorhizobium fredii | | Descriptor: | D-tagatose, D-tagatose 3-epimerase, MAGNESIUM ION | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-01-23 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
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4HT9
 | | Crystal structure of E coli Hfq bound to two RNAs | | Descriptor: | Protein hfq, RNA (5'-R(*AP*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(*AP*UP*UP*UP*UP*UP*UP*A)-3') | | Authors: | Wang, W.W, Wang, L.J. | | Deposit date: | 2012-11-01 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hfq-bridged ternary complex is important for translation activation of rpoS by DsrA.
Nucleic Acids Res., 41, 2013
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7DZ6
 | | Crystal structures of D-allulose 3-epimerase with D-allulose from Sinorhizobium fredii | | Descriptor: | D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-01-23 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
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7DZ5
 | | Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii | | Descriptor: | D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ... | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-01-23 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
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7TDZ
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4XWT
 | | Crystal structure of RNase J complexed with UMP | | Descriptor: | DR2417, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y. | | Deposit date: | 2015-01-29 | | Release date: | 2015-12-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J
Nucleic Acids Res., 43, 2015
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6BPL
 | | E. coli MsbA in complex with LPS and inhibitor G907 | | Descriptor: | (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Ho, H, Koth, C.M, Payandeh, J. | | Deposit date: | 2017-11-23 | | Release date: | 2018-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
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8GS6
 | | Structure of the SARS-CoV-2 BA.2.75 spike glycoprotein (closed state 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Anraku, Y, Tabata-Sasaki, K, Kita, S, Fukuhara, H, Maenaka, K, Hashiguchi, T. | | Deposit date: | 2022-09-05 | | Release date: | 2022-10-26 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Virological characteristics of the SARS-CoV-2 Omicron BA.2.75 variant.
Cell Host Microbe, 30, 2022
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7LQ7
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2021-02-13 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
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7U20
 | | Crystal structure of human METTL1 and WDR4 complex | | Descriptor: | SULFATE ION, tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4 | | Authors: | Li, J, Nowak, R.P, Fischer, E.S, Gregory, R. | | Deposit date: | 2022-02-22 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
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