1US1
 
 | | Crystal structure of human vascular adhesion protein-1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Airenne, T.T, Nymalm, Y, Kidron, H, Soderholm, A, Johnson, M.S, Salminen, T.A. | | 登録日 | 2003-11-17 | | 公開日 | 2005-02-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of the Human Vascular Adhesion Protein-1: Unique Structural Features with Functional Implications.
Protein Sci., 14, 2005
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6GEO
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7K7Q
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7K7O
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4Z2B
 | | The structure of human PDE12 residues 161-609 in complex with GSK3036342A | | 分子名称: | 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Nolte, R.T, Wisely, B, Wang, L, Wood, E.R. | | 登録日 | 2015-03-29 | | 公開日 | 2015-06-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
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4Z0V
 | | The structure of human PDE12 residues 161-609 | | 分子名称: | 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION | | 著者 | Nolte, R.T, Wisely, B, Wang, L, Wood, E.R. | | 登録日 | 2015-03-26 | | 公開日 | 2015-06-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
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6O8I
 | | BTK In Complex With Inhibitor | | 分子名称: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Pokross, M, Tebben, A.J, Watterson, S.H. | | 登録日 | 2019-03-11 | | 公開日 | 2019-04-03 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
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6OPK
 | | Phosphorylated ERK2 with Vertex-11e | | 分子名称: | 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1 | | 著者 | Vigers, G.P, Rudolph, J. | | 登録日 | 2019-04-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8QSO
 | | Crystal structure of human Mcl-1 in complex with compound 1 | | 分子名称: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | | 登録日 | 2023-10-10 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | | 主引用文献 | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen.
J.Med.Chem., 67, 2024
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1QB1
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4MNE
 | | Crystal structure of the BRAF:MEK1 complex | | 分子名称: | 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | | 登録日 | 2013-09-10 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8483 Å) | | 主引用文献 | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
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2BSP
 | | BACILLUS SUBTILIS PECTATE LYASE R279K MUTANT | | 分子名称: | CALCIUM ION, PROTEIN (PECTATE LYASE) | | 著者 | Pickersgill, R. | | 登録日 | 1998-07-31 | | 公開日 | 1998-08-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Conserved Arginine Proximal to the Essential Calcium of Bacillus Subtilis Pectate Lyase Stabilizes the Transition State
To be Published
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4MNF
 | | Crystal structure of BRAF-V600E bound to GDC0879 | | 分子名称: | 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | 著者 | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | | 登録日 | 2013-09-10 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | | 主引用文献 | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling.
Cancer Cell, 26, 2014
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2LHZ
 | | Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LHV
 | | Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2012-06-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LI0
 | | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LHY
 | | Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LI1
 | | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LHX
 | | Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LHW
 | | Tri-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LI2
 | | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2FH7
 | | Crystal structure of the phosphatase domains of human PTP SIGMA | | 分子名称: | Receptor-type tyrosine-protein phosphatase S | | 著者 | Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2005-12-23 | | 公開日 | 2006-01-10 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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1QBN
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1QB6
 | | BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX | | 分子名称: | 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE), CALCIUM ION, POTASSIUM ION, ... | | 著者 | Whitlow, M. | | 登録日 | 1999-04-29 | | 公開日 | 2000-04-29 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
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3I81
 | | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide] | | 分子名称: | 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor | | 著者 | Sack, J.S. | | 登録日 | 2009-07-09 | | 公開日 | 2009-12-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
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