2J8L
 
 | | FXI Apple 4 domain loop-out conformation | | Descriptor: | COAGULATION FACTOR XI | | Authors: | Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H. | | Deposit date: | 2006-10-25 | | Release date: | 2007-10-02 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2ED4
 | | Crystal structure of flavin reductase HpaC complexed with FAD and NAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, flavin reductase (HpaC) of 4-hydroxyphenylacetate 3-monooxygenae | | Authors: | Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K. | | Deposit date: | 2007-02-14 | | Release date: | 2008-01-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity
Proteins, 70, 2008
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3VI7
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2ECR
 | | Crystal structure of the ligand-free form of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase | | Descriptor: | flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase | | Authors: | Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K. | | Deposit date: | 2007-02-13 | | Release date: | 2008-01-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity
Proteins, 70, 2008
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2IZQ
 | | Gramicidin D complex with KI | | Descriptor: | GRAMICIDIN D, IODIDE ION, METHANOL, ... | | Authors: | Olczak, A, Glowka, M.L, Szczesio, M, Bojarska, J, Duax, W.L, Burkhart, B.M, Wawrzak, Z. | | Deposit date: | 2006-07-26 | | Release date: | 2007-01-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Nonstoichiometric Complex of Gramicidin D with Ki at 0.80 A Resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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2UZS
 | | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase | | Authors: | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | | Deposit date: | 2007-05-01 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer.
Nature, 448, 2007
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3TFK
 | | 42F3-p4B10/H2-Ld | | Descriptor: | 42F3 alpha, 42F3 beta, H2-Ld SBM2, ... | | Authors: | Adams, J.J, Kranz, D.M, Garcia, K.C. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.753 Å) | | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
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7GTF
 | | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000754b | | Descriptor: | 1,2-benzoxazol-3-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | | Deposit date: | 2024-01-03 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
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7GSQ
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7GTD
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7GSU
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7GTR
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7GSK
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7GSR
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7GTO
 | | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000602a | | Descriptor: | (6aR,8R,12R,12aS)-5-methyl-5,6a,7,10,11,12a-hexahydro-6H,9H-pyrazolo[1',2':1,2]pyrazolo[4,3-c]quinolin-9-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | | Deposit date: | 2024-01-03 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
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7GTS
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7GS7
 | | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000621a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | | Deposit date: | 2024-01-03 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
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7GSY
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7GT5
 | | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000529a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl [(3R,4S)-3-ethyl-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate | | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | | Deposit date: | 2024-01-03 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
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7GSA
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7GTT
 | | PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000148a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(3,4-dihydroquinoline-1(2H)-carbothioyl)propanamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Ginn, H.M, Keedy, D.A. | | Deposit date: | 2024-01-03 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
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3TCT
 | | Structure of wild-type TTR in complex with tafamidis | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Connelly, S, Kelly, J.W, Wilson, I.A. | | Deposit date: | 2011-08-09 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Tafamidis, a potent and selective transthyretin kinetic stabilizer that inhibits the amyloid cascade.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2CCE
 | | Parallel Configuration of pLI E20S | | Descriptor: | General control protein GCN4 | | Authors: | Yadav, M.K, Leman, L.J, Price, D.J, Brooks 3rd, C.L, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2006-01-16 | | Release date: | 2006-04-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution.
Biochemistry, 45, 2006
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3ULP
 | | Plasmodium falciparum SSB complex with ssDNA | | Descriptor: | DNA (35-MER), Single-strand binding protein | | Authors: | Antony, E, Lohman, T.M, Korolev, S. | | Deposit date: | 2011-11-11 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Plasmodium falciparum SSB Tetramer Wraps Single-Stranded DNA with Similar Topology but Opposite Polarity to E. coli SSB.
J.Mol.Biol., 420, 2012
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4I7K
 | | T4 Lysozyme L99A/M102H with toluene bound | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Merski, M, Shoichet, B.K. | | Deposit date: | 2012-11-30 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
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