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PDB: 50 件

5KMK
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TrkA JM-kinase with 2-fluoro-{N}-[2-(4-fluorophenyl)-6-methyl-3-pyridyl]-4-(trifluoromethyl)benzamide
分子名称: 2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMN
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TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
分子名称: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KZ8
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Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
分子名称: 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
著者Su, H.P, Munshi, S.K.
登録日2016-07-23
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5KMO
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TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea
分子名称: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMM
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TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea
分子名称: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMI
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TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
分子名称: 1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KZ7
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Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
分子名称: 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
著者Su, H.P, Munshi, S.K.
登録日2016-07-23
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5KMJ
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TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide
分子名称: High affinity nerve growth factor receptor, ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5IVQ
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BU of 5ivq by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-(3-morpholin-4-ium-2-ylpropylamino)-2-oxo-ethyl]carbamate
分子名称: CHLORIDE ION, Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide, Protease
著者Su, H.P.
登録日2016-03-21
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
2I9L
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BU of 2i9l by Molmil
Structure of Fab 7D11 from a neutralizing antibody against the poxvirus L1 protein
分子名称: Antibody 7D11 heavy chain, Antibody 7D11 light chain, GLYCEROL, ...
著者Su, H.P, Golden, J.W, Gittis, A.G, Moss, B, Hooper, J.W, Garboczi, D.N.
登録日2006-09-05
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the binding of the neutralizing antibody, 7D11, to the poxvirus L1 protein
Virology, 368, 2007
5HX8
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Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
分子名称: 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one, Tyrosine-protein kinase JAK1
著者Su, H.P.
登録日2016-01-29
公開日2016-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5I8A
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BU of 5i8a by Molmil
TrkA with (6~{R})-3-methylsulfanyl-6-phenyl-1-(1~{H}-pyrazol-3-yl)-6,7-dihydro-5~{H}-thieno[3,4-c]pyridin-4-one
分子名称: (6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one, ACETATE ION, CHLORIDE ION, ...
著者Su, H.P.
登録日2016-02-18
公開日2017-08-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Potent, selective and orally bioavailable leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
3C64
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The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1)
分子名称: CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL
著者Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N.
登録日2008-02-02
公開日2008-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
5VZ6
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BU of 5vz6 by Molmil
HIV Reverse Transcriptase complexed with (E)-3-(pyrimidin-2-yl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl)acrylamide
分子名称: 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide, HIV Reverse Transcriptase
著者Yan, Y, Su, H.P.
登録日2017-05-26
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献HIV Reverse Transcriptase complexed with inhibitor
To Be Published
1Z27
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BU of 1z27 by Molmil
Crystal structure of Native Pvs25, an ookinete protein from Plasmodium vivax.
分子名称: ookinete surface protein Pvs25
著者Saxena, A.K, Singh, K, Su, H.P, Klein, M.M, Stowers, A.W, Saul, A.J, Long, C.A, Garboczi, D.N.
登録日2005-03-07
公開日2005-12-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The essential mosquito-stage P25 and P28 proteins from Plasmodium form tile-like triangular prisms
Nat.Struct.Mol.Biol., 13, 2006
1Z1Y
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Crystal structure of Methylated Pvs25, an ookinete protein from Plasmodium vivax
分子名称: YTTERBIUM (III) ION, ookinete surface protein Pvs25
著者Saxena, A.K, Singh, K, Su, H.P, Klein, M.M, Stowers, A.W, Saul, A.J, Long, C.A, Garboczi, D.N.
登録日2005-03-07
公開日2005-12-06
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The essential mosquito-stage P25 and P28 proteins from Plasmodium form tile-like triangular prisms
Nat.Struct.Mol.Biol., 13, 2006
1Z3G
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BU of 1z3g by Molmil
Crystal structure of complex between Pvs25 and Fab fragment of malaria transmission blocking antibody 2A8
分子名称: 2A8 Fab Heavy Chain, 2A8 Fab Light Chain, ookinete surface protein Pvs25
著者Saxena, A.K, Singh, K, Su, H.P, Klein, M.M, Stowers, A.W, Saul, A.J, Long, C.A, Garboczi, D.N.
登録日2005-03-12
公開日2005-12-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The essential mosquito-stage P25 and P28 proteins from Plasmodium form tile-like triangular prisms
Nat.Struct.Mol.Biol., 13, 2006
3BIK
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BU of 3bik by Molmil
Crystal Structure of the PD-1/PD-L1 Complex
分子名称: GLYCEROL, Programmed cell death 1 ligand 1, Programmed cell death protein 1
著者Lin, D.Y, Tanaka, Y, Iwasaki, M, Gittis, A.G, Su, H.P, Mikami, B, Okazaki, T, Honjo, T, Minato, N, Garboczi, D.N.
登録日2007-11-30
公開日2008-02-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BIS
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BU of 3bis by Molmil
Crystal Structure of the PD-L1
分子名称: Programmed cell death 1 ligand 1
著者Lin, D.Y, Tanaka, Y, Iwasaki, M, Gittis, A.G, Su, H.P, Mikami, B, Okazaki, T, Honjo, T, Minato, N, Garboczi, D.N.
登録日2007-11-30
公開日2008-02-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5EJ0
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BU of 5ej0 by Molmil
The vaccinia virus H3 envelope protein, a major target of neutralizing antibodies, exhibits a glycosyltransferase fold and binds UDP-Glucose
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Singh, K, Gittis, A.G, Gitti, R.K, Ostazesky, S.A, Su, H.P, Garboczi, D.N.
登録日2015-10-30
公開日2016-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Vaccinia Virus H3 Envelope Protein, a Major Target of Neutralizing Antibodies, Exhibits a Glycosyltransferase Fold and Binds UDP-Glucose.
J.Virol., 90, 2016
3LP3
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BU of 3lp3 by Molmil
p15 HIV RNaseH domain with inhibitor MK3
分子名称: 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, p15
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP2
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BU of 3lp2 by Molmil
HIV-1 reverse transcriptase with inhibitor
分子名称: 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP1
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HIV-1 reverse transcriptase with inhibitor
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one, MANGANESE (II) ION, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP0
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HIV-1 reverse transcriptase with inhibitor
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3RVG
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Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor
分子名称: 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2
著者Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R.
登録日2011-05-06
公開日2012-03-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
J.Med.Chem., 54, 2011
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