1J7N
 
 | | Anthrax Toxin Lethal factor | | Descriptor: | Lethal Factor precursor, SULFATE ION, ZINC ION | | Authors: | Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C. | | Deposit date: | 2001-05-17 | | Release date: | 2001-11-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
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1JKY
 | | Crystal Structure of the Anthrax Lethal Factor (LF): Wild-type LF Complexed with the N-terminal Sequence of MAPKK2 | | Descriptor: | Lethal Factor, mitogen-activated protein kinase kinase 2 | | Authors: | Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C. | | Deposit date: | 2001-07-13 | | Release date: | 2001-11-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
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2GM9
 | | Structure of rabbit muscle glycogen phosphorylase in complex with thienopyrrole | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | | Authors: | Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Minshull, C, Rowsell, S, Pauptit, R.A. | | Deposit date: | 2006-04-06 | | Release date: | 2007-02-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
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2GJ4
 | | Structure of rabbit muscle glycogen phosphorylase in complex with ligand | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | | Authors: | Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Rowsell, S, Pauptit, R.A, Claire, M. | | Deposit date: | 2006-03-30 | | Release date: | 2007-02-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
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2BGE
 | | Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors | | Descriptor: | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE, PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J. | | Deposit date: | 2004-12-21 | | Release date: | 2005-05-04 | | Last modified: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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2BGD
 | | Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors | | Descriptor: | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J. | | Deposit date: | 2004-12-21 | | Release date: | 2005-05-04 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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2YJA
 | | Stapled Peptides binding to Estrogen Receptor alpha. | | Descriptor: | ESTRADIOL, ESTROGEN RECEPTOR, STAPLED PEPTIDE | | Authors: | Phillips, C, Roberts, L.R, Schade, M, Bazin, R, Bent, A, Davies, N.L, Irving, S.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Scott, A, Xu, B. | | Deposit date: | 2011-05-19 | | Release date: | 2011-08-03 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Design and Structure of Stapled Peptides Binding to Estrogen Receptors.
J.Am.Chem.Soc., 133, 2011
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2YJD
 | | Stapled peptide bound to Estrogen Receptor Beta | | Descriptor: | 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL, ESTROGEN RECEPTOR BETA, STAPLED PEPTIDE | | Authors: | Phillips, C, Roberts, L.R, Schade, M, Bent, A, Davies, N.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Irving, S.L. | | Deposit date: | 2011-05-19 | | Release date: | 2011-08-03 | | Last modified: | 2017-01-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Design and Structure of Stapled Peptides Binding to Estrogen Receptors.
J.Am.Chem.Soc., 133, 2011
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3ZCW
 | | Eg5 - New allosteric binding site | | Descriptor: | (2E)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ulaganathan, V, Talapatra, S.K, Kozielski, F, Pannifer, A.D. | | Deposit date: | 2012-11-23 | | Release date: | 2013-01-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.691 Å) | | Cite: | Structural Insights Into a Unique Inhibitor Binding Pocket in Kinesin Spindle Protein.
J.Am.Chem.Soc., 135, 2013
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2C6D
 | | Aurora A kinase activated mutant (T287D) in complex with ADPNP | | Descriptor: | GLYCEROL, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-01-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2C6E
 | | Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor | | Descriptor: | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-01-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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1A5Y
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7AFZ
 | | L1 metallo-b-lactamase with compound EBL-1306 | | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J, Brem, J. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
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2LDC
 | | Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2) | | Descriptor: | Estrogen receptor-binding stapled peptide SP1 | | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | | Deposit date: | 2011-05-20 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
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2LDD
 | | Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2) | | Descriptor: | Estrogen receptor-binding stapled peptide SP6 | | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | | Deposit date: | 2011-05-21 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
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2LDA
 | | Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2) | | Descriptor: | Estrogen receptor-binding stapled peptide SP2 | | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | | Deposit date: | 2011-05-20 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
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