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PDB: 17 件

6BL8
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Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
分子名称: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
著者Clawson, D.K, Gao, C.
登録日2017-11-09
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
5CNI
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mGlu2 with Glutamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
著者Clawson, D.K, Atwell, S, Monn, J.A.
登録日2015-07-17
公開日2015-09-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献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
4XAQ
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mGluR2 ECD and mGluR3 ECD with ligands
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献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
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献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
分子名称: (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
7KCO
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ROR gamma in complex with SCR2 and compound 3
分子名称: 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, ...
著者Durbin, J.D, Guo, S.Y, Stout, S.L, Clawson, D.K.
登録日2020-10-06
公開日2021-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
1AX8
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Human obesity protein, leptin
分子名称: OBESITY PROTEIN
著者Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W.
登録日1997-10-31
公開日1998-11-25
最終更新日2012-05-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the obese protein leptin-E100.
Nature, 387, 1997
1BBC
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STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION
分子名称: PHOSPHOLIPASE A2
著者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.
登録日1992-05-04
公開日1993-10-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution.
Nature, 352, 1991
6B7H
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Structure of mGluR3 with an agonist
分子名称: (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, ...
著者Monn, J.A, Clawson, D.K.
登録日2017-10-04
公開日2018-04-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献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
分子名称: (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1
著者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.
登録日2013-08-27
公開日2014-05-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.
Bioorg.Med.Chem.Lett., 23, 2013
1ET1
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BU of 1et1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PARATHYROID HORMONE 1-34 AT 0.9 A RESOLUTION
分子名称: PARATHYROID HORMONE, SODIUM ION
著者Jin, L, Briggs, S.L, Chandrasekhar, S, Chirgadze, N.Y, Clawson, D.K, Schevitz, R.W, Smiley, D.L, Tashjian, A.H, Zhang, F.
登録日2000-04-12
公開日2000-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution.
J.Biol.Chem., 275, 2000
6NOU
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An scFv derived from ixekizumab
分子名称: GLYCEROL, scFv derived from ixekizumab
著者Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Atwell, S.
登録日2019-01-16
公開日2019-06-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献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
分子名称: DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain
著者Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S.
登録日2019-01-16
公開日2019-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
5CNK
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mglur3 with glutamate
分子名称: GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3
著者Monn, J.A, Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2023-02-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献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
分子名称: (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
著者Monn, J.A, Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: (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, ...
著者Monn, J.A, Clawson, D.K, McKinzie, D.
登録日2015-07-17
公開日2015-09-09
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献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
分子名称: Epiregulin Antibody LY3016859 Fab Heavy Chain, Epiregulin Antibody LY3016859 Fab Light Chain, Protransforming growth factor alpha, ...
著者Atwell, S, Boyles, J.S, Clawson, D.K, Druzina, Z, Josef, G.H, Weichert, K, Witcher, D.R.
登録日2016-06-27
公開日2016-08-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of selectivity and neutralizing activity of a TGF alpha /epiregulin specific antibody.
Protein Sci., 25, 2016

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