6UPS
 
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3EVJ
 | | Intermediate structure of antithrombin bound to the natural pentasaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ... | | Authors: | Huntington, J.A, Belzar, K.J. | | Deposit date: | 2008-10-13 | | Release date: | 2008-10-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The critical role of hinge-region expulsion in the induced-fit heparin binding mechanism of antithrombin.
J. Mol. Biol., 386, 2009
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3EN4
 | | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor | | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
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6AWO
 | | X-ray structure of the ts3 human serotonin transporter complexed with sertraline at the central site | | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ... | | Authors: | Coleman, J.A, Gouaux, E. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.534 Å) | | Cite: | Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018
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3ESU
 | | Crystal structure of anthrax-neutralizing single-chain antibody 14b7 | | Descriptor: | Antibody 14b7* light chain and antibody 14b7* heavy chain linked with a synthetic (GGGGS)4 linker | | Authors: | Monzingo, A.F, Maynard, J.A, Iverson, B.L, Georgiou, G, Robertus, J.D. | | Deposit date: | 2008-10-06 | | Release date: | 2009-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the engineered neutralizing antibody m18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
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3ETI
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3ET6
 | | The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase | | Descriptor: | PHOSPHATE ION, Soluble guanylyl cyclase beta | | Authors: | Winger, J.A, Derbyshire, E.R, Lamers, M.H, Marletta, M.A, Kuriyan, J. | | Deposit date: | 2008-10-07 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase.
Bmc Struct.Biol., 8, 2008
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1OQV
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1OZU
 | | Crystal Structure of Familial ALS Mutant S134N of human Cu,Zn Superoxide Dismutase (CuZnSOD) to 1.3A resolution | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Elam, J.S, Taylor, A.B, Strange, R, Antonyuk, S, Doucette, P.A, Rodriguez, J.A, Hasnain, S.S, Hayward, L.J, Valentine, J.S, Yeates, T.O, Hart, P.J. | | Deposit date: | 2003-04-09 | | Release date: | 2003-05-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Amyloid-like Filaments and Water-filled Nanotubes Formed by SOD1 Mutant Proteins Linked to Familial ALS
Nat.Struct.Biol., 10, 2003
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6B4M
 | | Structural characterization of a novel monotreme-specific protein from the milk of the platypus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ... | | Authors: | Peat, T.S, Newman, J, Sharp, J.A, Kumar, A, Nicholas, K.R, Adams, T.E. | | Deposit date: | 2017-09-27 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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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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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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1OTC
 | | THE O. NOVA TELOMERE END BINDING PROTEIN COMPLEXED WITH SINGLE STRAND DNA | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), PROTEIN (TELOMERE-BINDING PROTEIN ALPHA SUBUNIT), PROTEIN (TELOMERE-BINDING PROTEIN BETA SUBUNIT) | | Authors: | Horvath, M.P, Schweiker, V.L, Bevilacqua, J.M, Ruggles, J.A, Schultz, S.C. | | Deposit date: | 1998-11-25 | | Release date: | 1999-04-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the Oxytricha nova telomere end binding protein complexed with single strand DNA.
Cell(Cambridge,Mass.), 95, 1998
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3ES8
 | | Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. | | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-10-04 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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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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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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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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1OYT
 | | COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR | | Descriptor: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ... | | Authors: | Banner, D.W, Olsen, J.A. | | Deposit date: | 2003-04-07 | | Release date: | 2003-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions.
Angew.Chem.Int.Ed.Engl., 42, 2003
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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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1OS5
 | | Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor. | | Descriptor: | 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase | | Authors: | Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A. | | Deposit date: | 2003-03-18 | | Release date: | 2004-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
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6V1I
 | | Cryo-EM reconstruction of the thermophilic bacteriophage P74-26 small terminase- symmetric | | Descriptor: | Small terminase protein | | Authors: | Hayes, J.A, Hilbert, B.J, Gaubitz, C, Stone, N.P, Kelch, B.A. | | Deposit date: | 2019-11-20 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A thermophilic phage uses a small terminase protein with a fixed helix-turn-helix geometry.
J.Biol.Chem., 295, 2020
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1P6H
 | | Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE, ... | | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2003-04-29 | | Release date: | 2004-01-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
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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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1OYH
 | | Crystal Structure of P13 Alanine Variant of Antithrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, ... | | Authors: | Johnson, D.J.D, Huntington, J.A. | | Deposit date: | 2003-04-04 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The influence of hinge region residue Glu-381 on antithrombin allostery and metastability
J.Biol.Chem., 279, 2004
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1P1M
 | | Structure of Thermotoga maritima amidohydrolase TM0936 bound to Ni and methionine | | Descriptor: | Hypothetical protein TM0936, METHIONINE, NICKEL (II) ION | | Authors: | Kniewel, R, Buglino, J.A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2003-04-12 | | Release date: | 2003-04-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the hypothetical protein TM0936 from Thermotoga maritima at
1.5A bound to Ni and methionine
To be Published, 2003
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