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3HW6
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BU of 3hw6 by Molmil
Crystal structure of avian influenza virus PA_N in complex with Mn
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
6DB3
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BU of 6db3 by Molmil
JAK3 with Cyanamide CP23
分子名称: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DUD
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BU of 6dud by Molmil
JAK3 with cyanamide CP12
分子名称: N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-06-20
公開日2018-11-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB4
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BU of 6db4 by Molmil
JAK3 with Cyanamide CP34
分子名称: N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DA4
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BU of 6da4 by Molmil
JAK3 with Cyanamide CP10
分子名称: (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-05-01
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
3W2D
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BU of 3w2d by Molmil
Crystal Structure of Staphylococcal Eenterotoxin B in complex with a novel neutralization monoclonal antibody Fab fragment
分子名称: Enterotoxin type B, Monoclonal Antibody 3E2 Fab figment heavy chain, Monoclonal Antibody 3E2 Fab figment light chain, ...
著者Liang, S.Y, Hu, S, Dai, J.X, Guo, Y.J, Lou, Z.Y.
登録日2012-11-28
公開日2013-12-25
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the neutralization and specificity of Staphylococcal enterotoxin B against its MHC Class II binding site.
MAbs, 6, 2014
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
分子名称: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
7NFC
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BU of 7nfc by Molmil
Cryo-EM structure of NHEJ super-complex (dimer)
分子名称: DNA (27-MER), DNA (28-MER), DNA ligase 4, ...
著者Chaplin, A.K, Hardwick, S.W, Kefala Stavridi, A, Chirgadze, D.Y, Blundell, T.L.
登録日2021-02-05
公開日2021-08-18
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Cryo-EM of NHEJ supercomplexes provides insights into DNA repair.
Mol.Cell, 81, 2021
7NFE
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BU of 7nfe by Molmil
Cryo-EM structure of NHEJ super-complex (monomer)
分子名称: DNA (5'-D(P*AP*AP*TP*AP*AP*AP*CP*TP*AP*AP*AP*AP*AP*CP*TP*AP*TP*TP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(P*TP*AP*AP*TP*AP*AP*TP*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*AP*G)-3'), DNA ligase 4, ...
著者Chaplin, A.K, Hardwick, S.W, Kefala Stavridi, A, Chirgadze, D.Y, Blundell, T.L.
登録日2021-02-06
公開日2021-08-18
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.29 Å)
主引用文献Cryo-EM of NHEJ supercomplexes provides insights into DNA repair.
Mol.Cell, 81, 2021
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
分子名称: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-22
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
7TJP
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BU of 7tjp by Molmil
HIV-1 gp120 complex with CJF-II-195
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-01-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
Acs Medicinal Chemistry Letters, 14, 2023
7TJO
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BU of 7tjo by Molmil
HIV-1 gp120 complex with CJF-II-197-S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-01-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
ACS Medicinal Chemistry Letters, 14, 2023
7UQL
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BU of 7uql by Molmil
Pathogenesis related 10-10 app from
分子名称: Pathogenesis Related 10-10 protein
著者Carr, S.C, Ng, K.K.S.
登録日2022-04-19
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
7UQO
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BU of 7uqo by Molmil
Pathogenesis related 10-10 (S)-tetrahydropapaverine complex
分子名称: (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pathogenesis Related 10-10 protein
著者Carr, S.C, Ng, K.K.S.
登録日2022-04-19
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
7UQN
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BU of 7uqn by Molmil
Pathogenesis related 10-10 noscapine complex
分子名称: Pathogenesis Related 10-10 protein, noscapine
著者Carr, S.C, Ng, K.K.S.
登録日2022-04-19
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
7UQM
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BU of 7uqm by Molmil
Pathogenesis related 10-10 papaverine complex
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Pathogenesis Related 10-10 protein
著者Carr, S.C, Ng, K.K.S.
登録日2022-04-19
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
7VSQ
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BU of 7vsq by Molmil
Crystal strcuture of the tandem B-Box domains of CONSTANS
分子名称: ZINC ION, Zinc finger protein CONSTANS
著者Liu, R, Lv, X, Du, J.
登録日2021-10-27
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7VSP
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BU of 7vsp by Molmil
Crystal strcuture of the tandem B-Box domains of COL2
分子名称: ZINC ION, Zinc finger protein CONSTANS-LIKE 2
著者Lv, X, Liu, R, Du, J.
登録日2021-10-27
公開日2022-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
4K2Y
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BU of 4k2y by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-09
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4FNF
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BU of 4fnf by Molmil
LT-IIB-B5 S74D mutant
分子名称: ACETATE ION, Heat-labile enterotoxin IIB, B chain
著者Cody, V.
登録日2012-06-19
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-activity correlations of variant forms of the B pentamer of Escherichia coli type II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding.
Acta Crystallogr.,Sect.D, 68, 2012
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