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4G9D
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BU of 4g9d by Molmil
Crystal Structure of HLA B2705-KK10
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
4IVD
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BU of 4ivd by Molmil
JAK1 kinase (JH1 domain) in complex with compound 34
Descriptor: 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1
Authors:Eigenbrot, C, Steffek, M.
Deposit date:2013-01-22
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4IVA
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BU of 4iva by Molmil
JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE
Descriptor: Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
Authors:Eigenbrot, C, Shia, S.
Deposit date:2013-01-22
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4JAM
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BU of 4jam by Molmil
Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103
Descriptor: 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
Authors:Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
4JIA
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BU of 4jia by Molmil
JAK2 kinase (JH1 domain) in complex with compound 9
Descriptor: 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-05
Release date:2013-08-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JDH
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BU of 4jdh by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide T peptide substrate
Descriptor: Paktide T, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JI9
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BU of 4ji9 by Molmil
JAK2 kinase (JH1 domain) in complex with TG101209
Descriptor: N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-05
Release date:2013-08-07
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4G8I
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BU of 4g8i by Molmil
Crystal Structure of HLA B2705-KK10-L6M
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, Gag protein, ...
Authors:Gras, S, Wilmann, P.G, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
4FXF
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BU of 4fxf by Molmil
Structure of M2 pyruvate kinase in complex with phenylalanine
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Walkinshaw, M.D, Morgan, H.P.
Deposit date:2012-07-03
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:M2 pyruvate kinase provides a mechanism for nutrient sensing and regulation of cell proliferation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G34
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BU of 4g34 by Molmil
Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution
Descriptor: 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4G1Q
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BU of 4g1q by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
4G2S
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BU of 4g2s by Molmil
Crystal structure of a Salmonella type III secretion system protein
Descriptor: CALCIUM ION, Protein prgH
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2012-07-12
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
4G9F
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BU of 4g9f by Molmil
Crystal Structure of C12C TCR-HLAB2705-KK10-L6M
Descriptor: Beta-2-microglobulin, Gag protein, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-03-20
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
4JIZ
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BU of 4jiz by Molmil
Human Mob1-phosphopeptide complex
Descriptor: MOB kinase activator 1A, ZINC ION, phosphopeptide
Authors:Stach, L, Ogrodowicz, R.W, Rock, J.M, Lim, D, Yaffe, M.B, Amon, A, Smerdon, S.J.
Deposit date:2013-03-07
Release date:2013-04-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activation of the yeast Hippo pathway by phosphorylation-dependent assembly of signaling complexes.
Science, 340, 2013
4JBS
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BU of 4jbs by Molmil
Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 in complex with PHOSPHINIC PSEUDOTRIPEPTIDE inhibitor.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ...
Authors:Saridakis, E, Birtley, J, Stratikos, E, Mavridis, I.M.
Deposit date:2013-02-20
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.789 Å)
Cite:Rationally designed inhibitor targeting antigen-trimming aminopeptidases enhances antigen presentation and cytotoxic T-cell responses.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JDK
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BU of 4jdk by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide S peptide substrate
Descriptor: Paktide S, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JLH
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BU of 4jlh by Molmil
HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, HIV-1 Integrase catalytic core domain, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-03-12
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
4J6R
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BU of 4j6r by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC23 in complex with HIV-1 gp120
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-02-11
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
4JB9
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BU of 4jb9 by Molmil
Crystal structure of antibody VRC06 in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, antibody VRC06 heavy chain, antibody VRC06 light chain, ...
Authors:Kwon, Y.D, Zhou, T, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-19
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
7NO8
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BU of 7no8 by Molmil
Structure of the mature RSV CA lattice: Group I, pentamer-hexamer interface, class 1"6
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NOM
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BU of 7nom by Molmil
Structure of the mature RSV CA lattice: Group IV, hexamer-hexamer interface, class 4'Beta
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NO1
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BU of 7no1 by Molmil
Structure of the mature RSV CA lattice: T=3 CA icosahedron
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NOG
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BU of 7nog by Molmil
Structure of the mature RSV CA lattice: Group III, hexamer-hexamer interface, class 4'5
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NOE
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BU of 7noe by Molmil
Structure of the mature RSV CA lattice: Group III, hexamer-hexamer interface, class 3'5
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
3V79
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BU of 3v79 by Molmil
Structure of human Notch1 transcription complex including CSL, RAM, ANK, and MAML-1 on HES-1 promoter DNA sequence
Descriptor: DNA 5'-D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)-3', DNA 5'-D(*TP*TP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*TP*AP*AP*C)-3', Mastermind-like protein 1, ...
Authors:Nam, Y, Sliz, P, Blacklow, S.
Deposit date:2011-12-20
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Conformational Locking upon Cooperative Assembly of Notch Transcription Complexes.
Structure, 20, 2012

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數據於2024-08-21公開中

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