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1FV9
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BU of 1fv9 by Molmil
Crystal structure of human microurokinase in complex with 2-amino-5-hydroxy-benzimidazole
分子名称: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, SULFATE ION, UROKINASE
著者Nienaber, V.
登録日2000-09-19
公開日2000-10-18
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of novel inhibitors of urokinase via NMR-based screening.
J.Med.Chem., 43, 2000
5BJT
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BU of 5bjt by Molmil
Crystal structure of human FcRn with a peptide inhibitor at multiple sites
分子名称: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, peptide inhibitor
著者Nienaber, V, Badger, J.
登録日2016-10-23
公開日2017-03-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hepatic FcRn regulates albumin homeostasis and susceptibility to liver injury.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3PMO
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BU of 3pmo by Molmil
The structure of LpxD from Pseudomonas aeruginosa at 1.3 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] glucosamine N-acyltransferase
著者Badger, J, Chie-Leon, B, Logan, C, Sridhar, V, Sankaran, B, Zwart, P.H, Nienaber, V.
登録日2010-11-17
公開日2011-07-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structure of LpxD from Pseudomonas aeruginosa at 1.3 A resolution.
Acta Crystallogr.,Sect.F, 67, 2011
3M1B
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BU of 3m1b by Molmil
Crystal structure of human FcRn with a dimeric peptide inhibitor
分子名称: Beta-2-microglobulin, DIMERIC PEPTIDE INHIBITOR, IgG receptor FcRn large subunit p51
著者Mezo, A.R, Sridhar, V, Badger, J, Sakorafas, P, Nienaber, V.
登録日2010-03-04
公開日2010-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献X-ray crystal structures of monomeric and dimeric peptide inhibitors in complex with the human neonatal Fc receptor, FcRn.
J.Biol.Chem., 285, 2010
3M17
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BU of 3m17 by Molmil
Crystal structure of human FcRn with a monomeric peptide inhibitor
分子名称: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, monomeric peptide inhibitor
著者Mezo, A.R, Sridhar, V, Badger, J, Sakorafas, P, Nienaber, V.
登録日2010-03-04
公開日2010-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray crystal structures of monomeric and dimeric peptide inhibitors in complex with the human neonatal Fc receptor, FcRn.
J.Biol.Chem., 285, 2010
4MSA
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BU of 4msa by Molmil
Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole)
分子名称: 5-nitro-1H-benzimidazole, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSH
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BU of 4msh by Molmil
Crystal Structure of PDE10A2 with fragment ZT0143 ((2S)-4-chloro-2,3-dihydro-1,3-benzothiazol-2-amine)
分子名称: 4-chloro-1,3-benzothiazol-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MRW
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BU of 4mrw by Molmil
Crystal structure of PDE10A2 with fragment ZT0120 (7-chloroquinolin-4-ol)
分子名称: 7-chloroquinolin-4-ol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, NIenaber, V.
登録日2013-09-17
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSE
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BU of 4mse by Molmil
Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline)
分子名称: 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MRZ
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BU of 4mrz by Molmil
Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine)
分子名称: 4-methyl-3-nitropyridin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-17
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSC
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BU of 4msc by Molmil
Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline)
分子名称: 2-[(quinolin-7-yloxy)methyl]quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MS0
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BU of 4ms0 by Molmil
Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine)
分子名称: 6-chloropyrimidine-2,4-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSN
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BU of 4msn by Molmil
Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
分子名称: 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4LLP
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BU of 4llp by Molmil
Crystal structure of PDE10A2 with fragment ZT401
分子名称: 4-amino-2-methylphenol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM4
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BU of 4lm4 by Molmil
Crystal structure of PDE10A2 with fragment ZT902
分子名称: NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, quinazolin-4(1H)-one
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-10
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LKQ
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BU of 4lkq by Molmil
Crystal structure of PDE10A2 with fragment ZT017
分子名称: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-08
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM1
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BU of 4lm1 by Molmil
Crystal structure of PDE10A2 with fragment ZT450
分子名称: 5-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM3
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BU of 4lm3 by Molmil
Crystal structure of PDE10A2 with fragment ZT464
分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, NICKEL (II) ION, ...
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LLX
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BU of 4llx by Molmil
Crystal structure of PDE10A2 with fragment ZT434
分子名称: 4,6-dimethylpyrimidin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM2
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BU of 4lm2 by Molmil
Crystal structure of PDE10A2 with fragment ZT462
分子名称: 2,3-dihydro-1,4-benzodioxin-6-ylmethanol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LLJ
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BU of 4llj by Molmil
Crystal structure of PDE10A2 with fragment ZT214
分子名称: 2H-isoindole-1,3-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM0
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BU of 4lm0 by Molmil
Crystal structure of PDE10A2 with fragment ZT448
分子名称: 5-NITROINDAZOLE, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LLK
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BU of 4llk by Molmil
Crystal structure of PDE10A2 with fragment ZT217
分子名称: 2-methylquinazolin-4(3H)-one, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-07-09
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
1SQA
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BU of 1sqa by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator
著者Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L.
登録日2004-03-18
公開日2004-04-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1SQT
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BU of 1sqt by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhang, X, Mantei, R, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L.
登録日2004-03-19
公開日2004-04-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004

 

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