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6ZFP
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BU of 6zfp by Molmil
Cryo-EM structure of DNA-PKcs (State 2)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-PKcs,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-17
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite: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
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-23
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.24 Å)
Cite: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)
Descriptor: 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
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-20
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite: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)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-20
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite: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
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-21
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite: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
Descriptor: 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
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-21
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite: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
Descriptor: 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, ...
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-21
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6KYQ
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BU of 6kyq by Molmil
Crystal structure of DCLK1 Autoinhibited Kinase Domain
Descriptor: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
Authors:Yu, Y, Chen, Q.
Deposit date:2019-09-20
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
6KYR
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BU of 6kyr by Molmil
Crystal structure of DCLK1 mutant (P675L) Autoinhibited Kinase Domain
Descriptor: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
Authors:Yu, Y, Chen, Q.
Deposit date:2019-09-20
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
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
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
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
Descriptor: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 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
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A, Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
Descriptor: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2020-08-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5TTU
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BU of 5ttu by Molmil
Jak3 with covalent inhibitor 7
Descriptor: 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
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
5TTS
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BU of 5tts by Molmil
Jak3 with covalent inhibitor 4
Descriptor: 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
Descriptor: N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
3I7G
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BU of 3i7g by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
Descriptor: 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4LH5
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BU of 4lh5 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION
Authors:Ruff, M, Levy, N, Eiler, S.
Deposit date:2013-06-30
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
4LH4
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BU of 4lh4 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
Descriptor: Integrase, MAGNESIUM ION
Authors:Ruff, M, Levy, N, Eiler, S.
Deposit date:2013-06-30
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
3HW4
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BU of 3hw4 by Molmil
Crystal structure of avian influenza A virus in complex with TMP
Descriptor: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
Deposit date:2009-06-17
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
3HW3
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BU of 3hw3 by Molmil
The crystal structure of avian influenza virus PA_N in complex with UMP
Descriptor: MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
Authors:Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
Deposit date:2009-06-17
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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

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数据于2024-10-16公开中

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