2VPQ
 
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4TYO
 | | PPIase in complex with a non-phosphate small molecule inhibitor. | | Descriptor: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Greasley, S.E, Ferre, R.A. | | Deposit date: | 2014-07-08 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
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1BEQ
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1VXD
 | | NATIVE SPERM WHALE MYOGLOBIN | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Yang, F, Phillips Jr, G.N. | | Deposit date: | 1996-01-09 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values.
J.Mol.Biol., 256, 1996
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1VXG
 | | NATIVE SPERM WHALE MYOGLOBIN | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Yang, F, Phillips Jr, G.N. | | Deposit date: | 1996-01-09 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values.
J.Mol.Biol., 256, 1996
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1VXF
 | | NATIVE SPERM WHALE MYOGLOBIN | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Yang, F, Phillips Jr, G.N. | | Deposit date: | 1996-01-09 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values.
J.Mol.Biol., 256, 1996
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1VXH
 | | NATIVE SPERM WHALE MYOGLOBIN | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Yang, F, Phillips Jr, G.N. | | Deposit date: | 1996-01-09 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of CO-, deoxy- and met-myoglobins at various pH values.
J.Mol.Biol., 256, 1996
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3QPZ
 | | Crystal structure of the N59A mutant of the 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Allison, T.M, Jameson, G.B, Parker, E.J, Cochrane, F.C. | | Deposit date: | 2011-02-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
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1BES
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1BEJ
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2Z3I
 | | Crystal structure of blasticidin S deaminase (BSD) mutant E56Q complexed with substrate | | Descriptor: | BLASTICIDIN S, Blasticidin-S deaminase, CACODYLATE ION, ... | | Authors: | Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T. | | Deposit date: | 2007-06-04 | | Release date: | 2007-10-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
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4J74
 | | The 1.2A crystal structure of humanized Xenopus MDM2 with RO0503918 - a nutlin fragment | | Descriptor: | (4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Janson, C, Lukacs, C, Kammlott, U, Graves, B. | | Deposit date: | 2013-02-12 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
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1B57
 | | CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE | | Descriptor: | CHLORIDE ION, PHOSPHOGLYCOLOHYDROXAMIC ACID, PROTEIN (FRUCTOSE-BISPHOSPHATE ALDOLASE II), ... | | Authors: | Hall, D.R, Hunter, W.N. | | Deposit date: | 1999-01-12 | | Release date: | 2000-01-07 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of Escherichia coli class II fructose-1, 6-bisphosphate aldolase in complex with phosphoglycolohydroxamate reveals details of mechanism and specificity.
J.Mol.Biol., 287, 1999
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4J5W
 | | Crystal Structure of the apo-PXR/RXRalpha LBD Heterotetramer Complex | | Descriptor: | MAGNESIUM ION, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1, ... | | Authors: | Wallace, B.D, Betts, L, Redinbo, M.R. | | Deposit date: | 2013-02-10 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Functional Analysis of the Human Nuclear Xenobiotic Receptor PXR in Complex with RXRalpha.
J.Mol.Biol., 425, 2013
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4J7E
 | | The 1.63A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5524529 | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(4S,5R)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone | | Authors: | Janson, C, Lukacs, C, Graves, B. | | Deposit date: | 2013-02-13 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
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3PFV
 | | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide | | Descriptor: | 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-29 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
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3BLX
 | | Yeast Isocitrate Dehydrogenase (Apo Form) | | Descriptor: | Isocitrate dehydrogenase [NAD] subunit 1, Isocitrate dehydrogenase [NAD] subunit 2 | | Authors: | Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L. | | Deposit date: | 2007-12-11 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
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3GS7
 | | Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13) | | Descriptor: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin | | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | | Deposit date: | 2009-03-26 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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4BAN
 | | Thrombin in complex with inhibitor | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Xue, Y, Musil, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-01-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
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3BLW
 | | Yeast Isocitrate Dehydrogenase with Citrate and AMP Bound in the Regulatory Subunits | | Descriptor: | ADENOSINE MONOPHOSPHATE, CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, ... | | Authors: | Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L. | | Deposit date: | 2007-12-11 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
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1SWN
 | | CORE-STREPTAVIDIN MUTANT W108F IN COMPLEX WITH BIOTIN AT PH 7.0 | | Descriptor: | BIOTIN, CORE-STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
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1SWP
 | | CORE-STREPTAVIDIN MUTANT W120F IN COMPLEX WITH BIOTIN AT PH 7.5 | | Descriptor: | BIOTIN, CORE-STREPTAVIDIN, EPI-BIOTIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
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1SWJ
 | | CORE-STREPTAVIDIN MUTANT W79F AT PH 4.5 | | Descriptor: | CORE-STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
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1SWO
 | | CORE-STREPTAVIDIN MUTANT W120F AT PH 7.5 | | Descriptor: | CORE-STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
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1SWR
 | | CORE-STREPTAVIDIN MUTANT W120A IN COMPLEX WITH BIOTIN AT PH 7.5 | | Descriptor: | BIOTIN, CORE-STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
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