3EF3
 
 | | cut-1a; NCN-Pt-Pincer-Cutinase Hybrid | | Descriptor: | (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+), Cutinase-1 | | Authors: | Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P. | | Deposit date: | 2008-09-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids
Chemistry, 15, 2009
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2O1Y
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O22
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | Apoptosis regulator Bcl-2, N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O2M
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2NVU
 | | Structure of APPBP1-UBA3~NEDD8-NEDD8-MgATP-Ubc12(C111A), a trapped ubiquitin-like protein activation complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Maltose binding protein/NEDD8-activating enzyme E1 catalytic subunit chimera, ... | | Authors: | Huang, D.T, Hunt, H.W, Zhuang, M, Ohi, M.D, Holton, J.M, Schulman, B.A. | | Deposit date: | 2006-11-13 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Basis for a ubiquitin-like protein thioester switch toggling E1-E2 affinity.
Nature, 445, 2007
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3DBR
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3DPL
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2M6N
 | | 3D solution structure of EMI1 (Early Mitotic Inhibitor 1) | | Descriptor: | F-box only protein 5, ZINC ION | | Authors: | Frye, J.J, Brown, N.G, Petzold, G, Watson, E.R, Royappa, G.R, Nourse, A, Jarvis, M, Kriwacki, R.W, Peters, J, Stark, H, Schulman, B.A. | | Deposit date: | 2013-04-06 | | Release date: | 2013-05-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Electron microscopy structure of human APC/C(CDH1)-EMI1 reveals multimodal mechanism of E3 ligase shutdown.
Nat.Struct.Mol.Biol., 20, 2013
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3ESD
 | | cut-2b; NCN-Pt-Pincer-Cutinase Hybrid | | Descriptor: | Cutinase 1, bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+) | | Authors: | Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P. | | Deposit date: | 2008-10-05 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids
Chemistry, 15, 2009
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2O2N
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2MHU
 | | THE THREE-DIMENSIONAL STRUCTURE OF HUMAN [113CD7] METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | | Descriptor: | CADMIUM ION, CD7 METALLOTHIONEIN-2 | | Authors: | Braun, W, Messerle, B.A, Schaeffer, A, Vasak, M, Kaegi, J.H.R, Wuthrich, K. | | Deposit date: | 1990-05-14 | | Release date: | 1991-04-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of human [113Cd7]metallothionein-2 in solution determined by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
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3EA1
 | | Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis | | Descriptor: | 1-phosphatidylinositol phosphodiesterase, ZINC ION | | Authors: | Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F. | | Deposit date: | 2008-08-24 | | Release date: | 2009-04-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
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3ESC
 | | cut-2a; NCN-Pt-Pincer-Cutinase Hybrid | | Descriptor: | Cutinase 1, bromo(4-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappaS)methyl]phenyl-kappaC~1~)palladium(2+) | | Authors: | Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P. | | Deposit date: | 2008-10-05 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids
Chemistry, 15, 2009
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3ESA
 | | cut-1b; NCN-Pt-Pincer-Cutinase Hybrid | | Descriptor: | (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+), Cutinase 1 | | Authors: | Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P. | | Deposit date: | 2008-10-05 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids
Chemistry, 15, 2009
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3ESB
 | | cut-1c; NCN-Pt-Pincer-Cutinase Hybrid | | Descriptor: | (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+), CHLORIDE ION, Cutinase 1 | | Authors: | Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P. | | Deposit date: | 2008-10-05 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids
Chemistry, 15, 2009
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2O2F
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2O21
 | | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
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2OR2
 | | Structure of the W47A/W242A Mutant of Bacterial Phosphatidylinositol-Specific Phospholipase C | | Descriptor: | 1-phosphatidylinositol phosphodiesterase | | Authors: | Shao, C, Shi, X, Wehbi, H, Zambonelli, C, Head, J.F, Seaton, B.A, Roberts, M.F. | | Deposit date: | 2007-02-01 | | Release date: | 2007-02-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C.
J.Biol.Chem., 282, 2007
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2LKX
 | | NMR structure of the homeodomain of Pitx2 in complex with a TAATCC DNA binding site | | Descriptor: | DNA (5'-D(*CP*GP*GP*GP*GP*AP*TP*TP*AP*GP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*CP*TP*AP*AP*TP*CP*CP*CP*CP*G)-3'), Pituitary homeobox 3 | | Authors: | Baird-Titus, J.M, Doerdelmann, T, Chaney, B.A, Clark-Baldwin, K, Dave, V, Ma, J. | | Deposit date: | 2011-10-21 | | Release date: | 2012-05-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the K50 class homeodomain PITX2 bound to DNA and implications for mutations that cause Rieger syndrome
Biochemistry, 44, 2005
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2OVU
 | | Crystal structure of a lectin from Canavalia gladiata (CGL) in complex with man1-2man-OMe | | Descriptor: | CALCIUM ION, Canavalia gladiata lectin, MANGANESE (II) ION, ... | | Authors: | Moreno, F.B.M.B, Bezerra, G.A, de Oliveira, T.M, de Souza, E.P, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F. | | Deposit date: | 2007-02-15 | | Release date: | 2007-10-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
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2OW4
 | | Crystal structure of a lectin from Canavalia maritima seeds (ConM) in complex with man1-2man-OMe | | Descriptor: | CALCIUM ION, Canavalia maritima lectin, MANGANESE (II) ION, ... | | Authors: | Moreno, F.B.M.B, Bezerra, G.A, de Oliveira, T.M, de Souza, E.M, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F. | | Deposit date: | 2007-02-15 | | Release date: | 2007-10-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
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3O6B
 | | A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB) low resolution | | Descriptor: | Cell division control protein 53, Defective in cullin neddylation protein 1 | | Authors: | Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A. | | Deposit date: | 2010-07-28 | | Release date: | 2010-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
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6XD4
 | | CDC-like protein | | Descriptor: | ACETATE ION, Hemolysin, SODIUM ION | | Authors: | Morton, C.J, Parker, M.W, Lawrence, S.L, Johnstone, B.A, Tweten, R.K. | | Deposit date: | 2020-06-09 | | Release date: | 2021-04-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Key Motif in the Cholesterol-Dependent Cytolysins Reveals a Large Family of Related Proteins.
Mbio, 11, 2020
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3U2D
 | | S. aureus GyrB ATPase domain in complex with small molecule inhibitor | | Descriptor: | 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | | Authors: | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | | Deposit date: | 2011-10-03 | | Release date: | 2012-01-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
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6BG5
 | | Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1 | | Descriptor: | Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | Deposit date: | 2017-10-27 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
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