5UWK
 
 | | Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-10a | | Descriptor: | (S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Taylor, A.B, Cao, X, Hart, P.J. | | Deposit date: | 2017-02-21 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
J. Med. Chem., 60, 2017
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5UWN
 | | Matrix metalloproteinase-13 complexed with selective inhibitor compound 10d | | Descriptor: | CALCIUM ION, Collagenase 3, N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de, ... | | Authors: | Taylor, A.B, Cao, X, Hart, P.J. | | Deposit date: | 2017-02-21 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
J. Med. Chem., 60, 2017
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5UWL
 | | Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-17a | | Descriptor: | (S)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide, CALCIUM ION, Collagenase 3, ... | | Authors: | Taylor, A.B, Cao, X, Hart, P.J. | | Deposit date: | 2017-02-21 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
J. Med. Chem., 60, 2017
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4F59
 | | Triple mutant Src SH2 domain | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src | | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | | Deposit date: | 2012-05-12 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling.
Sci.Signal., 5, 2012
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4F5A
 | | Triple mutant Src SH2 domain bound to phosphate ion | | Descriptor: | PHOSPHATE ION, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S. | | Deposit date: | 2012-05-12 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Superbinder SH2 Domains Act as Antagonists of Cell Signaling.
Sci.Signal., 5, 2012
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4MUB
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | | Deposit date: | 2013-09-21 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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4MUA
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase | | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | | Deposit date: | 2013-09-21 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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2OIQ
 | | Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib. | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Seeliger, M.A, Nagar, B, Frank, F, Cao, X, Henderson, M.N, Kuriyan, J. | | Deposit date: | 2007-01-11 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | c-Src Binds to the Cancer Drug Imatinib with an Inactive Abl/c-Kit Conformation and a Distributed Thermodynamic Penalty.
Structure, 15, 2007
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2MHZ
 | | Structure of Exocyclic S,S N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA | | Descriptor: | 5'-D(*CP*GP*GP*AP*CP*(SDE)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3' | | Authors: | Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P. | | Deposit date: | 2013-12-05 | | Release date: | 2014-05-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane.
Chem.Res.Toxicol., 27, 2014
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2MHX
 | | Structure of Exocyclic R,R N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA | | Descriptor: | 5'-D(*CP*GP*GP*AP*CP*(RBD)P*AP*GP*AP*AP*G)-3'), 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') | | Authors: | Kowal, E.A, Seneviratne, U, Wickramaratne, S, Doherty, K.E, Cao, X, Tretyakova, N, Stone, M.P. | | Deposit date: | 2013-12-05 | | Release date: | 2014-05-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane.
Chem.Res.Toxicol., 27, 2014
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2OZO
 | | Autoinhibited intact human ZAP-70 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase ZAP-70 | | Authors: | Deindl, S, Kadlecek, T.A, Brdicka, T, Cao, X, Weiss, A, Kuriyan, J. | | Deposit date: | 2007-02-26 | | Release date: | 2007-05-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for the Inhibition of Tyrosine Kinase Activity of ZAP-70.
Cell(Cambridge,Mass.), 129, 2007
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3QQD
 | | Human SOD1 H80R variant, P212121 crystal form | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Schirf, V, Demeler, B, Carroll, M.C, Culotta, V.C, Hart, P.J. | | Deposit date: | 2011-02-15 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Disrupted zinc-binding sites in structures of pathogenic SOD1 variants D124V and H80R.
Biochemistry, 49, 2010
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7WP9
 | | SARS-CoV-2 Omicron Variant SPIKE trimer, all RBDs down | | 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: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WPA
 | | SARS-CoV-2 Omicron Variant SPIKE trimer complexed with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WPB
 | | SARS-CoV-2 Omicron Variant RBD complexed with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WPC
 | | The second RBD of SARS-CoV-2 Omicron Variant in complexed with RBD-ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WPD
 | | SARS-CoV-2 Omicron Variant S Trimer complexed with one JMB2002 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WPF
 | | SARS-CoV-2 Omicron Variant S Trimer complexed with three JMB2002 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WPE
 | | SARS-CoV-2 Omicron Variant S Trimer complexed with two JMB2002 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WRV
 | | The interface of JMB2002 Fab binds to SARS-CoV-2 Omicron Variant S | | Descriptor: | JMB2002 Fab heavy chain, JMB2002 Fab light chain, Spike glycoprotein | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | | Deposit date: | 2022-01-27 | | Release date: | 2022-03-23 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7DA7
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7DAS
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8IXZ
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8IY1
 | | Structure of Acb2 complexed with cAAG | | Descriptor: | GUANOSINE-3'-MONOPHOSPHATE, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26 | | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | | Deposit date: | 2023-04-03 | | Release date: | 2024-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024
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8IY0
 | | Structure of Acb2 complexed with cAAA | | Descriptor: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26 | | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | | Deposit date: | 2023-04-03 | | Release date: | 2024-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024
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