7MNG
 
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7MRR
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-05-08 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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5D14
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4Z7A
 | | Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. | | Descriptor: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ... | | Authors: | Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A. | | Deposit date: | 2015-04-06 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
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3N4W
 | | Crystal structure of an abridged SER to ALA mutant of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase ICA512/IA-2 at pH 7.5 | | Descriptor: | CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N | | Authors: | Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R. | | Deposit date: | 2010-05-23 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2.
J.Biol.Chem., 283, 2008
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3N01
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3NG8
 | | Crystal structure of an abridged SER TO ALA MUTANT OF THE MATURE ECTODOMAIN of the human receptor-type protein-tyrosine phosphatase ICA512/IA-2 at PH 8.5 | | Descriptor: | CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N | | Authors: | Primo, M.E, Jakoncic, J, Poskus, E, Ermacora, M.R. | | Deposit date: | 2010-06-11 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2.
J.Biol.Chem., 283, 2008
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3T6R
 | | Structure of UHRF1 in complex with unmodified H3 N-terminal tail | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Histone H3.1t N-terminal peptide, MAGNESIUM ION, ... | | Authors: | Xie, S, Jakoncic, J, Qian, C.M. | | Deposit date: | 2011-07-29 | | Release date: | 2011-11-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail
J.Mol.Biol., 415, 2012
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3NP5
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6BSC
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6BSB
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7KU0
 | | Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KTY
 | | Data clustering and dynamics of chymotrypsinogen average structure | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KU1
 | | Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KU2
 | | Data clustering and dynamics of chymotrypsinogen clulster 140 (structure) | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.185 Å) | | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KU3
 | | Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7KTZ
 | | Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure | | Descriptor: | Chymotrypsinogen A, SULFATE ION | | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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7MGU
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4GOY
 | | The crystal structure of human fascin 1 K41A mutant | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
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4GP3
 | | The crystal structure of human fascin 1 K358A mutant | | Descriptor: | BROMIDE ION, CHLORIDE ION, Fascin, ... | | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
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4GOV
 | | The crystal structure of human fascin 1 S39D mutant | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
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4GP0
 | | The crystal structure of human fascin 1 R149A K150A R151A mutant | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ... | | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
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3LLP
 | | 1.8 Angstrom human fascin 1 crystal structure | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, Fascin, ... | | Authors: | Chen, L, Yang, S, Jakoncic, J, Zhang, J.J, Huang, X.-Y. | | Deposit date: | 2010-01-29 | | Release date: | 2010-04-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Migrastatin analogues target fascin to block tumour metastasis.
Nature, 464, 2010
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2QT7
 | | Crystallographic structure of the mature ectodomain of the human receptor-type protein-tyrosine phosphatase IA-2 at 1.30 Angstroms | | Descriptor: | CALCIUM ION, Receptor-type tyrosine-protein phosphatase-like N | | Authors: | Primo, M.E, Klinke, S, Sica, M.P, Goldbaum, F.A, Jakoncic, J, Poskus, E, Ermacora, M.R. | | Deposit date: | 2007-08-01 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of the Mature Ectodomain of the Human Receptor-type Protein-tyrosine Phosphatase IA-2
J.Biol.Chem., 283, 2008
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4HI9
 | | 1.2 structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at wavelength 0.91974 | | Descriptor: | IODIDE ION, Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, ... | | Authors: | Stiegler, A.L, Jakoncic, J, Stojanoff, V, Chiswell, B.P, Calderwood, D.A, Boggon, T.J. | | Deposit date: | 2012-10-11 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.203 Å) | | Cite: | 1.2 structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at wavelength 0.91974
To be Published
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