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PDB: 17 results

6BL8
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Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
Descriptor: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Clawson, D.K, Gao, C.
Deposit date:2017-11-09
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
4XAQ
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BU of 4xaq by Molmil
mGluR2 ECD and mGluR3 ECD with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAR
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mGluR2 ECD and mGluR3 ECD complex with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAS
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mGluR2 ECD ligand complex
Descriptor: (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
5CNI
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mGlu2 with Glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:Clawson, D.K, Atwell, S, Monn, J.A.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
7KCO
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ROR gamma in complex with SCR2 and compound 3
Descriptor: 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K.
Deposit date:2020-10-06
Release date:2021-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
J.Med.Chem., 64, 2021
6NOU
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An scFv derived from ixekizumab
Descriptor: GLYCEROL, scFv derived from ixekizumab
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
6NOV
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A Fab derived from ixekizumab
Descriptor: DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain
Authors:Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S.
Deposit date:2019-01-16
Release date:2019-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
6B7H
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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:2024-10-23
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
4MF3
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Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist
Descriptor: (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1
Authors:Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L.
Deposit date:2013-08-27
Release date:2014-05-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.
Bioorg.Med.Chem.Lett., 23, 2013
1BBC
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STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION
Descriptor: PHOSPHOLIPASE A2
Authors:Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D.
Deposit date:1992-05-04
Release date:1993-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution.
Nature, 352, 1991
1AX8
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Human obesity protein, leptin
Descriptor: OBESITY PROTEIN
Authors:Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W.
Deposit date:1997-10-31
Release date:1998-11-25
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the obese protein leptin-E100.
Nature, 387, 1997
5CNK
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mglur3 with glutamate
Descriptor: GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3
Authors:Monn, J.A, Clawson, D.K.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNJ
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mGlur2 with glutamate analog
Descriptor: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
Authors:Monn, J.A, Clawson, D.K.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNM
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mGluR3 complexed with glutamate analog
Descriptor: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Monn, J.A, Clawson, D.K, McKinzie, D.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5KN5
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TGFalpha/Epiregulin complex with neutralizing antibody LY3016859
Descriptor: Epiregulin Antibody LY3016859 Fab Heavy Chain, Epiregulin Antibody LY3016859 Fab Light Chain, Protransforming growth factor alpha, ...
Authors:Atwell, S, Boyles, J.S, Clawson, D.K, Druzina, Z, Josef, G.H, Weichert, K, Witcher, D.R.
Deposit date:2016-06-27
Release date:2016-08-31
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of selectivity and neutralizing activity of a TGF alpha /epiregulin specific antibody.
Protein Sci., 25, 2016
1ET1
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BU of 1et1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PARATHYROID HORMONE 1-34 AT 0.9 A RESOLUTION
Descriptor: PARATHYROID HORMONE, SODIUM ION
Authors:Jin, L, Briggs, S.L, Chandrasekhar, S, Chirgadze, N.Y, Clawson, D.K, Schevitz, R.W, Smiley, D.L, Tashjian, A.H, Zhang, F.
Deposit date:2000-04-12
Release date:2000-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution.
J.Biol.Chem., 275, 2000

226707

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