8E9U
 
 | | Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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1RUL
 | | Crystal Structure (D) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 5.6 with a data set collected at SSRL beamline 11-1. | | Descriptor: | ACETATE ION, BENZOIC ACID, GLYCEROL, ... | | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | | Deposit date: | 2003-12-11 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
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1RUR
 | | Crystal Structure (I) of native Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected at SSRL beamline 9-1. | | Descriptor: | ZINC ION, immunoglobulin 13G5, heavy chain, ... | | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | | Deposit date: | 2003-12-11 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
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1RUQ
 | | Crystal Structure (H) of u.v.-irradiated Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected in house. | | Descriptor: | ZINC ION, immunoglobulin 13G5 heavy chain, immunoglobulin 13G5 light chain | | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | | Deposit date: | 2003-12-11 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
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1JFP
 | | Structure of bovine rhodopsin (dark adapted) | | Descriptor: | RETINAL, rhodopsin | | Authors: | Yeagle, P.L, Choi, G, Albert, A.D. | | Deposit date: | 2001-06-21 | | Release date: | 2001-10-05 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Studies on the structure of the G-protein-coupled receptor rhodopsin including the putative G-protein binding site in unactivated and activated forms.
Biochemistry, 40, 2001
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1KUQ
 | | CRYSTAL STRUCTURE OF T3C MUTANT S15 RIBOSOMAL PROTEIN IN COMPLEX WITH 16S RRNA | | Descriptor: | 16S RIBOSOMAL RNA FRAGMENT, 30S RIBOSOMAL PROTEIN S15, SULFATE ION | | Authors: | Nikulin, A.D, Tishchenko, S, Revtovich, S, Ehresmann, B, Ehresmann, C, Dumas, P, Garber, M, Nikonov, S, Nevskaya, N. | | Deposit date: | 2002-01-22 | | Release date: | 2003-06-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Role of N-terminal helix in interaction of ribosomal protein S15 with 16S rRNA.
Biochemistry Mosc., 69, 2004
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1LN6
 | | STRUCTURE OF BOVINE RHODOPSIN (Metarhodopsin II) | | Descriptor: | RETINAL, RHODOPSIN | | Authors: | Choi, G, Landin, J, Galan, J.F, Birge, R.R, Albert, A.D, Yeagle, P.L. | | Deposit date: | 2002-05-03 | | Release date: | 2002-07-10 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structural studies of metarhodopsin II, the activated form of the G-protein coupled receptor, rhodopsin.
Biochemistry, 41, 2002
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1L5Z
 | | CRYSTAL STRUCTURE OF THE E121K SUBSTITUTION OF THE RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD | | Descriptor: | C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN DCTD, GLYCEROL, SULFATE ION | | Authors: | Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T. | | Deposit date: | 2002-03-08 | | Release date: | 2002-10-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain
FASEB J., 16, 2002
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1L5Y
 | | CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD | | Descriptor: | BERYLLIUM DIFLUORIDE, BERYLLIUM TETRAFLUORIDE ION, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T. | | Deposit date: | 2002-03-08 | | Release date: | 2002-10-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain
FASEB J., 16, 2002
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1ULL
 | | RNA APTAMER COMPLEXED WITH HIV-1 REV PEPTIDE, NMR, 7 STRUCTURES | | Descriptor: | REV PEPTIDE, RNA (5'-R (GP*GP*CP*UP*GP*GP*AP*CP*UP*CP*GP*UP*AP*CP*UP*UP*CP*GP* GP*UP*AP*CP*UP*GP*GP*AP*GP*AP*AP*AP*CP*AP*GP*CP*C)-3') | | Authors: | Ye, X, Gorin, A, Ellington, A.D, Patel, D.J. | | Deposit date: | 1996-11-05 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Deep penetration of an alpha-helix into a widened RNA major groove in the HIV-1 rev peptide-RNA aptamer complex.
Nat.Struct.Biol., 3, 1996
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1TUR
 | | SOLUTION STRUCTURE OF TURKEY OVOMUCOID THIRD DOMAIN AS DETERMINED FROM NUCLEAR MAGNETIC RESONANCE DATA | | Descriptor: | OVOMUCOID | | Authors: | Krezel, A.M, Darba, P, Robertson, A.D, Fejzo, J, Macura, S, Markley, J.L. | | Deposit date: | 1994-07-06 | | Release date: | 1994-10-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of turkey ovomucoid third domain as determined from nuclear magnetic resonance data.
J.Mol.Biol., 242, 1994
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1J5B
 | | Solution structure of a hydrophobic analogue of the winter flounder antifreeze protein | | Descriptor: | Antifreeze protein type 1 analogue | | Authors: | Liepinsh, E, Otting, G, Harding, M.M, Ward, L.G, Mackay, J.P, Haymet, A.D. | | Deposit date: | 2002-03-22 | | Release date: | 2002-03-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a hydrophobic analogue of the winter flounder antifreeze protein.
Eur.J.Biochem., 269, 2002
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1TX8
 | | Bovine Trypsin complexed with AMSO | | Descriptor: | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen | | Authors: | Mesecar, A.D. | | Deposit date: | 2004-07-02 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa
Bioorg.Med.Chem.Lett., 14, 2004
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1M32
 | | Crystal Structure of 2-aminoethylphosphonate Transaminase | | Descriptor: | 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ... | | Authors: | Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O. | | Deposit date: | 2002-06-26 | | Release date: | 2002-11-20 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
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7ONS
 | | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | | Descriptor: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONT
 | | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | | Descriptor: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | Descriptor: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7OKQ
 | | Cryo-EM Structure of the DDB1-DCAF1-CUL4A-RBX1 Complex | | Descriptor: | Cullin-4A, DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, ... | | Authors: | Mohamed, W.I, Schenk, A.D, Kempf, G, Cavadini, S, Thoma, N.H. | | Deposit date: | 2021-05-18 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (8.4 Å) | | Cite: | The CRL4 DCAF1 cullin-RING ubiquitin ligase is activated following a switch in oligomerization state.
Embo J., 40, 2021
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5MDH
 | | CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC MALATE DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS RESOLUTION | | Descriptor: | ALPHA-KETOMALONIC ACID, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Chapman, A.D.M, Cortes, A, Dafforn, T.R, Clarke, A.R, Brady, R.L. | | Deposit date: | 1998-10-08 | | Release date: | 1999-05-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of substrate specificity in malate dehydrogenases: crystal structure of a ternary complex of porcine cytoplasmic malate dehydrogenase, alpha-ketomalonate and tetrahydoNAD.
J.Mol.Biol., 285, 1999
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7PI6
 | | Trypanosoma brucei ISG65 bound to human complement C3d | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 65 kDa invariant surface glycoprotein, Complement C3dg fragment, ... | | Authors: | Cook, A.D, Higgins, M.K. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Invariant surface glycoprotein 65 of Trypanosoma brucei is a complement C3 receptor.
Nat Commun, 13, 2022
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7QYI
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7QER
 | | human Connexin 26 dodecamer at 55mm Hg PCO2, pH7.4 | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-03-30 | | Last modified: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QEQ
 | | human Connexin 26 dodecamer at 90mmHg PCO2, pH7.4 | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-03-30 | | Last modified: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QET
 | | human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4 | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-03-30 | | Last modified: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QEW
 | | human Connexin 26 class 2 hexamer at 90mmHg PCO2, pH7.4 | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | Deposit date: | 2021-12-03 | | Release date: | 2022-03-30 | | Last modified: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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