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5NTT
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BU of 5ntt by Molmil
Crystal structure of human Mps1 (TTK) C604Y mutant in complex with NMS-P715
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
Authors:Hiruma, Y, Joosten, R.P, Perrakis, A.
Deposit date:2017-04-28
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
2YLM
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BU of 2ylm by Molmil
Mechanism of USP7 (HAUSP) activation by its C-terminal ubiquitin-like domain (HUBL) and allosteric regulation by GMP-synthetase.
Descriptor: CHLORIDE ION, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 7
Authors:Faesen, A.C, Perrakis, A, Sixma, T.K.
Deposit date:2011-06-03
Release date:2011-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Usp7/Hausp Activation by its C- Terminal Ubiquitin-Like Domain and Allosteric Regulation by Gmp-Synthetase
Mol.Cell, 44, 2011
2W8F
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BU of 2w8f by Molmil
Aplysia californica AChBP bound to in silico compound 31
Descriptor: (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J.
Deposit date:2009-01-16
Release date:2009-04-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
2W8G
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BU of 2w8g by Molmil
Aplysia californica AChBP bound to in silico compound 35
Descriptor: (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J.
Deposit date:2009-01-16
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
2KLT
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BU of 2klt by Molmil
Second Ca2+ binding domain of NCX1.3
Descriptor: Sodium/calcium exchanger 1
Authors:Hilge, M, Aelen, J, Foarce, A, Perrakis, A, Vuister, G.W.
Deposit date:2009-07-08
Release date:2009-08-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Ca2+ regulation in the Na+/Ca2+ exchanger features a dual electrostatic switch mechanism.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WVR
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BU of 2wvr by Molmil
Human Cdt1:Geminin complex
Descriptor: DNA REPLICATION FACTOR CDT1, GEMININ
Authors:De Marco, V, Perrakis, A.
Deposit date:2009-10-19
Release date:2009-10-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Quaternary Structure of the Human Cdt1-Geminin Complex Regulates DNA Replication Licensing.
Proc.Natl.Acad.Sci.USA, 106, 2009
2KLS
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BU of 2kls by Molmil
Apo-form of the second Ca2+ binding domain of NCX1.4
Descriptor: Sodium/calcium exchanger 1
Authors:Hilge, M, Aelen, J, Foarce, A, Perrakis, A, Vuister, G.W.
Deposit date:2009-07-08
Release date:2009-08-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Ca2+ regulation in the Na+/Ca2+ exchanger features a dual electrostatic switch mechanism.
Proc.Natl.Acad.Sci.USA, 106, 2009
7ZOM
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BU of 7zom by Molmil
Crystal structure of N-terminal catalytic domain of human PLAAT3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phospholipase A and acyltransferase 3
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-04-26
Release date:2023-04-26
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of N-terminal catalytic domain of human PLAAT3
To Be Published
7ZU4
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BU of 7zu4 by Molmil
Crystal Structure of Human Parechovirus 1 2A protein lacking the C-terminal oligomerisation helix
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein 2A, ...
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-11
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Parechovirus 1 2A protein
To Be Published
7ZU3
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BU of 7zu3 by Molmil
Crystal Structure of Human Parechovirus 1 2A protein lacking the C-terminal oligomerisation helix
Descriptor: Protein 2A
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-11
Release date:2023-05-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Human Parechovirus 1 2A protein
To Be Published
7ZUO
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BU of 7zuo by Molmil
Crystal Structure of Ljungan virus 4 2A2 protein, P212121 form
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-12
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Plasticity of Parechovirus H/NC-motif 2A proteins
To Be Published
7ZUA
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BU of 7zua by Molmil
Crystal Structure of Ljungan virus 4 2A2 protein I222 crystal form
Descriptor: ACETATE ION, Protein 2A
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-11
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural plasticity of Parechovirus family H-box 2A proteins
To Be Published
7ZV6
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BU of 7zv6 by Molmil
Crystal Structure of Aichivirus A 2A protein
Descriptor: Protein 2A
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-13
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structural and functional repurposing of picornavirus H/NC-motif 2A proteins
To Be Published
7ZTW
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BU of 7ztw by Molmil
Crystal Structure of Human Parechovirus 1 2A protein
Descriptor: ACETATE ION, Protein 2A, SODIUM ION
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-11
Release date:2023-05-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Human Parechovirus 1 2A protein
To Be Published
7ZV1
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BU of 7zv1 by Molmil
Crystal Structure of Aichivirus A 2A protein L64M, L109M mutant
Descriptor: Protein 2A
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-13
Release date:2023-05-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and functional repurposing of picornavirus H/NC-motif 2A proteins
To Be Published
8A2G
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BU of 8a2g by Molmil
Crystal structure of Sebokelevirus 2A2 protein
Descriptor: 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL
Authors:Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural plasticity of 2A proteins in the Parechovirus family
to be published
8A2F
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BU of 8a2f by Molmil
Crystal Structure of Ljunganvirus 1 2A protein
Descriptor: 2A protein
Authors:von Castelmur, E, Zhu, L, Wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural plasticity of 2A proteins in the Parechovirus family
To Be Published
8A2E
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BU of 8a2e by Molmil
Crystal Structure of Human Parechovirus 3 2A protein
Descriptor: 2A protein, GLYCEROL, SULFATE ION
Authors:von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural plasticity of 2A proteins in the Parechovirus family.
To Be Published
1RXF
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BU of 1rxf by Molmil
DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II)
Descriptor: DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION
Authors:Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I.
Deposit date:1998-06-05
Release date:1999-06-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cephalosporin synthase.
Nature, 394, 1998
8BBM
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BU of 8bbm by Molmil
DNA binding domain of J-DNA Binding Protein 1 (JBP1)
Descriptor: Thymine dioxygenase JBP1
Authors:de Vries, I, Joosten, R.P, Perrakis, A.
Deposit date:2022-10-13
Release date:2022-11-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Distant sequence regions of JBP1 contribute to J-DNA binding.
Life Sci Alliance, 6, 2023
1RXG
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BU of 1rxg by Molmil
DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ...
Authors:Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I.
Deposit date:1998-06-05
Release date:1999-06-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cephalosporin synthase.
Nature, 394, 1998
5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
Descriptor: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2016-08-17
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
2X4P
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BU of 2x4p by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger.
J.Am.Chem.Soc., 131, 2009
2X4Q
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BU of 2x4q by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger.
J.Am.Chem.Soc., 131, 2009
2X4T
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BU of 2x4t by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, ...
Authors:Rodenko, B, Toebes, M, Celie, P.H.N, Perrakis, A, Schumacher, T.N.M, Ovaa, H.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger.
J.Am.Chem.Soc., 131, 2009

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数据于2024-06-12公开中

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