2A6N
 
 | | Dihydrodipicolinate synthase (E. coli)- mutant R138A | | Descriptor: | Dihydrodipicolinate synthase, POTASSIUM ION | | Authors: | Dobson, R.C, Devenish, S.R, Turner, L.A, Clifford, V.R, Pearce, F.G, Jameson, G.B, Gerrard, J.A. | | Deposit date: | 2005-07-03 | | Release date: | 2005-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Role of Arginine 138 in the Catalysis and Regulation of Escherichia coli Dihydrodipicolinate Synthase.
Biochemistry, 44, 2005
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6UWX
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2A8M
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2ADW
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6B8T
 | | Multiconformer model of apo WT PTP1B with glycerol at 240 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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2AB2
 | | Mineralocorticoid Receptor Double Mutant with Bound Spironolactone | | Descriptor: | Mineralocorticoid receptor, SPIRONOLACTONE, SULFATE ION | | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | | Deposit date: | 2005-07-14 | | Release date: | 2005-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
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2AF1
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6BAI
 | | Multiconformer model of apo K197C PTP1B at 100 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-12 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5C3G
 | | Crystal structure of Bcl-xl bound to BIM-MM | | Descriptor: | Bcl-2-like protein 1,Bcl-2-like protein 1, Bcl-2-like protein 11 | | Authors: | Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2015-06-17 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Hydrocarbon constrained peptides - understanding preorganisation and binding affinity.
Chem Sci, 7, 2016
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6B8X
 | | Multiconformer model of apo WT PTP1B with glycerol at 278 K | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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2A8L
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6UPU
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6UPS
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2AZ2
 | | Flock House virus B2-dsRNA Complex (P4122) | | Descriptor: | 5'-R(*GP*CP*AP*(5BU)P*GP*GP*AP*CP*GP*CP*GP*(5BU)P*CP*CP*AP*(5BU)P*GP*C)-3', B2 protein | | Authors: | Chao, J.A, Lee, J.H, Chapados, B.R, Debler, E.W, Schneemann, A, Williamson, J.R. | | Deposit date: | 2005-09-09 | | Release date: | 2005-10-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dual modes of RNA-silencing suppression by Flock House virus protein B2.
Nat.Struct.Mol.Biol., 12, 2005
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6B3K
 | | Crystal structure of mutant Spinach RNA aptamer in complex with Fab BL3-6 | | Descriptor: | Heavy chain of Fab BL3-6, Light chain of Fab BL3-6, MAGNESIUM ION, ... | | Authors: | DasGupta, S, Koirala, D, Shelke, S.A, Piccirilli, J.A. | | Deposit date: | 2017-09-22 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Affinity maturation of a portable Fab-RNA module for chaperone-assisted RNA crystallography.
Nucleic Acids Res., 46, 2018
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2AWJ
 | | GFP R96M pre-cyclized intermediate in chromophore formation | | Descriptor: | MAGNESIUM ION, green-fluorescent protein | | Authors: | Wood, T.I, Barondeau, D.P, Hitomi, C, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2005-09-01 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Defining the role of arginine 96 in green fluorescent protein fluorophore biosynthesis.
Biochemistry, 44, 2005
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6B8E
 | | Multiconformer model of apo WT PTP1B with glycerol at 180 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-06 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5CI5
 | | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose | | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein family 1, PENTAETHYLENE GLYCOL, ... | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-07-11 | | Release date: | 2015-07-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose
To be published
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2B60
 | | Structure of HIV-1 protease mutant bound to Ritonavir | | Descriptor: | GLYCEROL, Gag-Pol polyprotein, RITONAVIR | | Authors: | Clemente, J.C, Stow, L.R, Janka, L.K, Jeung, J.A, Desai, K.A, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Goodenow, M.M, Dunn, B.M. | | Deposit date: | 2005-09-29 | | Release date: | 2006-11-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | In vivo, kinetic, and structural analysis of the development of ritonavir resistance
To be Published
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6B7H
 | | Structure of mGluR3 with an agonist | | Descriptor: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Monn, J.A, Clawson, D.K. | | Deposit date: | 2017-10-04 | | Release date: | 2018-04-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist.
J. Med. Chem., 61, 2018
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2AWL
 | | Mature R96K GFP mutant | | Descriptor: | MAGNESIUM ION, green fluorescent protein | | Authors: | Wood, T.I, Barondeau, D.P, Hitomi, C, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2005-09-01 | | Release date: | 2006-04-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Defining the role of arginine 96 in green fluorescent protein fluorophore biosynthesis.
Biochemistry, 44, 2005
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5C7U
 | | 5'-monophosphate wt Guanine Riboswitch bound to hypoxanthine. | | Descriptor: | 5'-monophosphate wt guanine riboswitch, COBALT HEXAMMINE(III), HYPOXANTHINE | | Authors: | Hernandez, A.R, Shao, Y, Hoshika, S, Yang, Z, Shelke, S.A, Herrou, J, Kim, H.-J, Kim, M.-J, Piccirilli, J.A, Benner, S.A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | A Crystal Structure of a Functional RNA Molecule Containing an Artificial Nucleobase Pair.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2AZ0
 | | Flock House virus B2-dsRNA Complex (P212121) | | Descriptor: | 5'-R(*GP*CP*AP*(5BU)P*GP*GP*AP*CP*GP*CP*GP*(5BU)P*CP*CP*AP*(5BU)P*GP*C)-3', B2 protein | | Authors: | Chao, J.A, Lee, J.H, Chapados, B.R, Debler, E.W, Schneemann, A, Williamson, J.R. | | Deposit date: | 2005-09-09 | | Release date: | 2005-10-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dual modes of RNA-silencing suppression by Flock House virus protein B2.
Nat.Struct.Mol.Biol., 12, 2005
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6UVM
 | | Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one, Bromodomain-containing protein 4 | | Authors: | Johnson, J.A, Pomerantz, W.C.K. | | Deposit date: | 2019-11-03 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
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6B95
 | | Multiconformer model of K197C PTP1B tethered to compound 2 at 100 K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2017-10-10 | | Release date: | 2018-06-20 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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