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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
8BV2
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BU of 8bv2 by Molmil
Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
分子名称: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
著者Ruff, M, Benarous, R.
登録日2022-12-01
公開日2023-06-07
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
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
6ZFP
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BU of 6zfp by Molmil
Cryo-EM structure of DNA-PKcs (State 2)
分子名称: DNA-dependent protein kinase catalytic subunit,DNA-PKcs,DNA-PKcs
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-17
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZH4
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BU of 6zh4 by Molmil
Cryo-EM structure of DNA-PKcs (State 3)
分子名称: DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-20
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZHA
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BU of 6zha by Molmil
Cryo-EM structure of DNA-PK monomer
分子名称: DNA, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5, ...
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-21
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZH8
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BU of 6zh8 by Molmil
Cryo-EM structure of DNA-PKcs:DNA
分子名称: DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*T)-3'), DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-21
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZHE
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BU of 6zhe by Molmil
Cryo-EM structure of DNA-PK dimer
分子名称: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-23
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (7.24 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZH2
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BU of 6zh2 by Molmil
Cryo-EM structure of DNA-PKcs (State 1)
分子名称: DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-20
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZH6
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BU of 6zh6 by Molmil
Cryo-EM structure of DNA-PKcs:Ku80ct194
分子名称: DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5
著者Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
登録日2020-06-21
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
4Z69
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BU of 4z69 by Molmil
Human serum albumin complexed with palmitic acid and diclofenac
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, PALMITIC ACID, PENTADECANOIC ACID, ...
著者Zhang, Y, Yang, F.
登録日2015-04-04
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Structural basis of non-steroidal anti-inflammatory drug diclofenac binding to human serum albumin.
Chem.Biol.Drug Des., 86, 2015
5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
分子名称: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A, Margarit, S.M.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
3NXC
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BU of 3nxc by Molmil
Molecular mechanism by which the Escherichia coli nucleoid occlusion factor, SlmA, keeps cytokinesis in check
分子名称: HTH-type protein slmA
著者Tonthat, N.K, Schumacher, M.A.
登録日2010-07-13
公開日2011-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism by which the nucleoid occlusion factor, SlmA, keeps cytokinesis in check.
Embo J., 30, 2011
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A, Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
3I7G
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BU of 3i7g by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
分子名称: 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2009-07-08
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3I7I
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BU of 3i7i by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
分子名称: CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ...
著者Farrow, N.A, Margarit, S.M.
登録日2009-07-08
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5TTS
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BU of 5tts by Molmil
Jak3 with covalent inhibitor 4
分子名称: 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTV
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BU of 5ttv by Molmil
Jak3 with covalent inhibitor 6
分子名称: N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTU
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BU of 5ttu by Molmil
Jak3 with covalent inhibitor 7
分子名称: 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-11-04
公開日2017-02-22
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
3HW3
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BU of 3hw3 by Molmil
The crystal structure of avian influenza virus PA_N in complex with UMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
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 (1.9 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
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
3HW4
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BU of 3hw4 by Molmil
Crystal structure of avian influenza A virus in complex with TMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 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

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