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6AKP
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BU of 6akp by Molmil
Crystal Structural of FOXC2 DNA binding domain bound to PC promoter
Descriptor: DNA (5'-D(AP*CP*AP*CP*AP*AP*AP*TP*AP*TP*TP*TP*GP*TP*GP*T)-3'), Forkhead box protein C2, MAGNESIUM ION
Authors:Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
Deposit date:2018-09-03
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
1C6X
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BU of 1c6x by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C6Y
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BU of 1c6y by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
6II9
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BU of 6ii9 by Molmil
Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L3A-44
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L3A-44 Fab, Hemagglutinin, ...
Authors:Jiang, H.H, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2018-10-03
Release date:2018-10-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans.
Nat Microbiol, 4, 2019
6II8
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BU of 6ii8 by Molmil
Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4B-18
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L4B-18 Fab, Hemagglutinin, ...
Authors:Jiang, H.H, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2018-10-03
Release date:2018-10-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans.
Nat Microbiol, 4, 2019
7XNF
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BU of 7xnf by Molmil
Structure of SARS-CoV-2 antibody P2C-1F11 with GX/P2V/2017 RBD
Descriptor: P2C-1F11 Heavy Chain, P2C-1F11 Lambda chain, Spike protein S1
Authors:Jia, Y.F, Chai, Y, Wang, Q.H, Gao, G.F.
Deposit date:2022-04-28
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Cross-reaction of current available SARS-CoV-2 MAbs against the pangolin-origin coronavirus GX/P2V/2017.
Cell Rep, 41, 2022
7XBF
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BU of 7xbf by Molmil
The complex structure of RshSTT182/200 RBD-insert2 bound to human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain insert2, ...
Authors:Hu, Y, Liu, K.F, Han, P, Qi, J.X.
Deposit date:2022-03-21
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs.
Embo J., 42, 2023
7XBG
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BU of 7xbg by Molmil
The crystal structure of RshSTT182/200 RBD-insert2-T346R-Y496G mutant in complex with human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Hu, Y, Liu, K.F, Han, P, Qi, J.X.
Deposit date:2022-03-21
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs.
Embo J., 42, 2023
7XBH
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BU of 7xbh by Molmil
The complex structure of RshSTT182/200 RBD bound to human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain, ...
Authors:Hu, Y, Liu, K.F, Han, P, Qi, J.X.
Deposit date:2022-03-21
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs.
Embo J., 42, 2023
6II4
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BU of 6ii4 by Molmil
Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4A-14
Descriptor: Heavy chain of L4A-14 Fab, Hemagglutinin, Light chain of L4A-14 Fab
Authors:Jiang, H.H, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2018-10-03
Release date:2018-10-24
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans.
Nat Microbiol, 4, 2019
7Y8R
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BU of 7y8r by Molmil
The nucleosome-bound human PBAF complex
Descriptor: ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2, ...
Authors:Wang, L, Yu, J, Yu, Z, Wang, Q, He, S, Xu, Y.
Deposit date:2022-06-24
Release date:2022-12-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of nucleosome-bound human PBAF complex.
Nat Commun, 13, 2022
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
Descriptor: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
7XSW
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BU of 7xsw by Molmil
Structure of SARS-CoV-2 antibody S309 with GX/P2V/2017 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Lambda Chain, ...
Authors:Jia, Y.F, Chai, Y, Wang, Q.H, Gao, G.F.
Deposit date:2022-05-15
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Cross-reaction of current available SARS-CoV-2 MAbs against the pangolin-origin coronavirus GX/P2V/2017.
Cell Rep, 41, 2022
7YOJ
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BU of 7yoj by Molmil
Structure of CasPi with guide RNA and target DNA
Descriptor: CasPi, DNA (30-MER), DNA (5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*CP*CP*AP*G)-3'), ...
Authors:Li, C.P, Wang, J, Liu, J.J.
Deposit date:2022-08-01
Release date:2023-02-15
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:The compact Cas pi (Cas12l) 'bracelet' provides a unique structural platform for DNA manipulation.
Cell Res., 33, 2023
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
Descriptor: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
Descriptor: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
7WF5
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BU of 7wf5 by Molmil
c-Src in complex with ponatinib
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src
Authors:Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y.
Deposit date:2021-12-26
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural study of ponatinib in inhibiting SRC kinase.
Biochem.Biophys.Res.Commun., 598, 2022
4MQ2
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BU of 4mq2 by Molmil
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L.
Deposit date:2013-09-15
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
2YWP
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BU of 2ywp by Molmil
Crystal Structure of CHK1 with a Urea Inhibitor
Descriptor: 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA, Serine/threonine-protein kinase Chk1
Authors:Park, C.
Deposit date:2007-04-21
Release date:2007-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
5CGY
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BU of 5cgy by Molmil
Fab fragment of Chikungunya virus neutralizing human monoclonal antibody 4J21
Descriptor: Heavy Chain of Fab, Light Chain of Fab
Authors:Long, F, Crowe, J.E, Rossmann, M.G.
Deposit date:2015-07-09
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Cryo-EM structures elucidate neutralizing mechanisms of anti-chikungunya human monoclonal antibodies with therapeutic activity.
Proc.Natl.Acad.Sci.USA, 112, 2015
7XH8
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BU of 7xh8 by Molmil
The structure of ZCB11 Fab against SARS-CoV-2 Omicron Spike
Descriptor: Spike glycoprotein, The heavy chain of ZCB11 antibody, The light chain of ZCB11 antibody
Authors:Hang, L, Dang, S.
Deposit date:2022-04-07
Release date:2022-06-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:A broadly neutralizing antibody protects Syrian hamsters against SARS-CoV-2 Omicron challenge.
Nat Commun, 13, 2022
5CHN
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BU of 5chn by Molmil
Fab fragments of chikungunya virus neutralizing human monoclonal antibody 5M16
Descriptor: Antibody 5M16 Fab Heavy Chain, Antibody 5M16 Fab Light Chain
Authors:Long, F, Crowe, J.E, Rossmann, M.G.
Deposit date:2015-07-10
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Cryo-EM structures elucidate neutralizing mechanisms of anti-chikungunya human monoclonal antibodies with therapeutic activity.
Proc.Natl.Acad.Sci.USA, 112, 2015
7X4X
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BU of 7x4x by Molmil
BTB domain of KEAP1 in complex with MEF
Descriptor: 4-ethoxy-4-oxobutanoic acid, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7X4W
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BU of 7x4w by Molmil
Crystal structure of Keap1 BTB domain in complex with dimethyl fumarate (DMF)
Descriptor: Dimethyl fumarate, Kelch-like ECH-associated protein 1
Authors:Qu, L.Z.
Deposit date:2022-03-03
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
4N78
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BU of 4n78 by Molmil
The WAVE Regulatory Complex Links Diverse Receptors to the Actin Cytoskeleton
Descriptor: Abl interactor 2, CHLORIDE ION, Cytoplasmic FMR1-interacting protein 1, ...
Authors:Chen, Z.C.
Deposit date:2013-10-15
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The WAVE Regulatory Complex Links Diverse Receptors to the Actin Cytoskeleton.
Cell(Cambridge,Mass.), 156, 2014

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数据于2024-09-11公开中

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