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5M0U
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BU of 5m0u by Molmil
Apostructure structure of cAMP-dependent Protein Kinase (PKA) from CHO cells with a peptidic inhibitor fragment
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.667 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA)
To Be Published
5M6V
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BU of 5m6v by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
6HRQ
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BU of 6hrq by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-09-28
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTI
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BU of 6hti by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6
Descriptor: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-04
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTT
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BU of 6htt by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-04
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSK
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BU of 6hsk by Molmil
Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat
Descriptor: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSZ
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BU of 6hsz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2
Descriptor: 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ...
Authors:Marek, M, Shaik, T.B, Romier, C.
Deposit date:2018-10-02
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTG
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BU of 6htg by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4
Descriptor: 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-04
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTZ
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BU of 6htz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8
Descriptor: 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-05
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSH
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BU of 6hsh by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat
Descriptor: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSF
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BU of 6hsf by Molmil
Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051
Descriptor: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HT8
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BU of 6ht8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
Descriptor: 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Marek, M, Shaik, T.B, Romier, C.
Deposit date:2018-10-03
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
3L3O
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BU of 3l3o by Molmil
Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement Component C3c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Staphylococcal complement inhibitor
Authors:Geisbrecht, B.V, Garcia, B.G.
Deposit date:2009-12-17
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.405 Å)
Cite:Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b.
J.Mol.Biol., 402, 2010
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.565 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5O35
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BU of 5o35 by Molmil
Structure of complement proteins complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Complement factor H,Complement factor H
Authors:Xue, X, Wu, J, Forneris, F, Gros, P.
Deposit date:2017-05-23
Release date:2017-06-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Regulator-dependent mechanisms of C3b processing by factor I allow differentiation of immune responses.
Nat. Struct. Mol. Biol., 24, 2017
6HTH
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BU of 6hth by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5
Descriptor: 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-04
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HU3
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BU of 6hu3 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor
Descriptor: 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-05
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
5M0C
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BU of 5m0c by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5M1G
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BU of 5m1g by Molmil
Structure of a Spumaretrovirus Gag central domain reveals an ancient retroviral capsid
Descriptor: Gag protein
Authors:Nicastro, G, Ball, N, Taylor, I.A.
Deposit date:2016-10-07
Release date:2016-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of a Spumaretrovirus Gag Central Domain Reveals an Ancient Retroviral Capsid.
Plos Pathog., 12, 2016
5M75
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BU of 5m75 by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative
Descriptor: 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands.
To be Published
3NMS
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BU of 3nms by Molmil
Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement C3c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Staphylococcal complement inhibitor
Authors:Geisbrecht, B.V, Garcia, B.L.
Deposit date:2010-06-22
Release date:2010-08-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b.
J.Mol.Biol., 402, 2010
5O32
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BU of 5o32 by Molmil
The structure of complement complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xue, X, Wu, J, Forneris, F, Gros, P.
Deposit date:2017-05-23
Release date:2017-06-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.206209 Å)
Cite:Regulator-dependent mechanisms of C3b processing by factor I allow differentiation of immune responses.
Nat. Struct. Mol. Biol., 24, 2017
6HU2
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BU of 6hu2 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11
Descriptor: 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-05
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
5C0R
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BU of 5c0r by Molmil
Crystal Structure of a Generation 3 Influenza Hemagglutinin Stabilized Stem Complexed with the Broadly Neutralizing Antibody C179
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C179 Fab heavy chain, ...
Authors:Boyington, J.C, kwong, P.D, Nabel, G.J, Mascola, J.R.
Deposit date:2015-06-12
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.188 Å)
Cite:Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015

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数据于2024-10-30公开中

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