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4N9B
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.859 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9D
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9C
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BU of 4n9c by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9E
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BU of 4n9e by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
1EDJ
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BU of 1edj by Molmil
STAPHYLOCOCCAL PROTEIN A E-DOMAIN (180), NMR, 20 STRUCTURES
分子名称: STAPHYLOCOCCAL PROTEIN A
著者Starovasnik, M.A, Skelton, N.J, Fairbrother, W.J.
登録日1996-10-07
公開日1997-04-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the E-domain of staphylococcal protein A.
Biochemistry, 35, 1996
1EDK
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BU of 1edk by Molmil
STAPHYLOCOCCAL PROTEIN A E-DOMAIN (-60), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: STAPHYLOCOCCAL PROTEIN A
著者Starovasnik, M.A, Skelton, N.J, Fairbrother, W.J.
登録日1996-07-22
公開日1997-04-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the E-domain of staphylococcal protein A.
Biochemistry, 35, 1996
1EDL
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BU of 1edl by Molmil
STAPHYLOCOCCAL PROTEIN A E-DOMAIN (-60), NMR, 22 STRUCTURES
分子名称: STAPHYLOCOCCAL PROTEIN A
著者Starovasnik, M.A, Skelton, N.J, Fairbrother, W.J.
登録日1996-07-22
公開日1997-04-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the E-domain of staphylococcal protein A.
Biochemistry, 35, 1996
1FSP
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BU of 1fsp by Molmil
NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, 20 STRUCTURES
分子名称: STAGE 0 SPORULATION PROTEIN F
著者Feher, V.A, Skelton, N.J, Dahlquist, F.W, Cavanagh, J.
登録日1997-06-05
公開日1997-12-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition.
Biochemistry, 36, 1997
1HAF
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BU of 1haf by Molmil
HEREGULIN-ALPHA EPIDERMAL GROWTH FACTOR-LIKE DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: HEREGULIN-ALPHA
著者Jacobsen, N.E, Skelton, N.J, Fairbrother, W.J.
登録日1995-11-30
公開日1996-07-11
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the EGF-like domain of heregulin-alpha.
Biochemistry, 35, 1996
1HAE
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BU of 1hae by Molmil
HEREGULIN-ALPHA EPIDERMAL GROWTH FACTOR-LIKE DOMAIN, NMR, 20 STRUCTURES
分子名称: HEREGULIN-ALPHA
著者Jacobsen, N.E, Skelton, N.J, Fairbrother, W.J.
登録日1995-11-30
公開日1996-07-11
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the EGF-like domain of heregulin-alpha.
Biochemistry, 35, 1996
1IMX
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BU of 1imx by Molmil
1.8 Angstrom crystal structure of IGF-1
分子名称: BROMIDE ION, Insulin-like Growth Factor 1A, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
著者Vajdos, F.F, Ultsch, M, Schaffer, M.L, Deshayes, K.D, Liu, J, Skelton, N.J, de Vos, A.M.
登録日2001-05-11
公開日2001-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions.
Biochemistry, 40, 2001
3OCB
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BU of 3ocb by Molmil
Akt1 kinase domain with pyrrolopyrimidine inhibitor
分子名称: (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, GSK 3 beta peptide, v-akt murine thymoma viral oncogene homolog 1 (AKT1)
著者Morales, T.H, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-08-09
公開日2010-09-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of pyrrolopyrimidine inhibitors of Akt.
Bioorg.Med.Chem.Lett., 20, 2010
3OW3
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BU of 3ow3 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-09-17
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OW4
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BU of 3ow4 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase
著者Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-09-17
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
1QTY
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BU of 1qty by Molmil
VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR
分子名称: FMS-LIKE TYROSINE KINASE 1, VASCULAR ENDOTHELIAL GROWTH FACTOR
著者Wiesmann, C, de Vos, A.M.
登録日1999-06-29
公開日2000-01-12
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
6U3I
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BU of 6u3i by Molmil
Design of organo-peptides as bipartite PCSK9 antagonists
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-21
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
6U2F
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BU of 6u2f by Molmil
PCSK9-Fab 7G7 complex bound to cis-1-amino-4-phenylcyclohexaneacyl-WNLK(hR)IGLLR - NH2
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-19
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
5HIB
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BU of 5hib by Molmil
EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor
分子名称: Epidermal growth factor receptor, N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Eigenbrot, C, Yu, C.
登録日2016-01-11
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HIC
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EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor
分子名称: Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2016-01-11
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
2P3W
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Crystal Structure of the HtrA3 PDZ Domain Bound to a Phage-Derived Ligand (FGRWV)
分子名称: Probable serine protease HTRA3
著者Appleton, B.A, Wiesmann, C.
登録日2007-03-09
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3.
Protein Sci., 16, 2007
1CDN
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BU of 1cdn by Molmil
Solution structure of (CD2+)1-calbindin D9K reveals details of the stepwise structural changes along the apo--> (CA2+)II1--> (CA2+)I,II2 binding pathway
分子名称: CALBINDIN D9K
著者Akke, M, Forsen, S, Chazin, W.J.
登録日1995-08-04
公開日1995-11-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of (Cd2+)1-calbindin D9k reveals details of the stepwise structural changes along the Apo-->(Ca2+)II1-->(Ca2+)I,II2 binding pathway.
J.Mol.Biol., 252, 1995
1D1O
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BU of 1d1o by Molmil
COOPERATIVITY IN EF-HAND CA2+-BINDING PROTEINS: EVIDENCE OF SITE-SITE COMMUNICATION FROM BINDING-INDUCED CHANGES IN STRUCTURE AND DYNAMICS OF N56A CALBINDIN D9K
分子名称: CALBINDIN D9K
著者Maler, L, Blankenship, J, Rance, M, Chazin, W.J.
登録日1999-09-20
公開日2000-03-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Site-site communication in the EF-hand Ca2+-binding protein calbindin D9k.
Nat.Struct.Biol., 7, 2000
1DVA
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BU of 1dva by Molmil
Crystal Structure of the Complex Between the Peptide Exosite Inhibitor E-76 and Coagulation Factor VIIA
分子名称: CACODYLATE ION, CALCIUM ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
著者Eigenbrot, C, Ultsch, M.H.
登録日2000-01-20
公開日2000-05-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Peptide exosite inhibitors of factor VIIa as anticoagulants.
Nature, 404, 2000
5KYC
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Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin (malonate bound)
分子名称: GLYCEROL, MALONIC ACID, Polyubiquitin-B, ...
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.426 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYF
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Crystal structure of USP7 catalytic domain [L299A] mutant in complex with ubiquitin
分子名称: GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018

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