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5FSM
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BU of 5fsm by Molmil
MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide.
Descriptor: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSO
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BU of 5fso by Molmil
MTH1 substrate recognition: Complex with a methylaminopyrimidinedione.
Descriptor: 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
Authors:Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
Deposit date:2016-01-06
Release date:2017-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
5FSI
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BU of 5fsi by Molmil
MTH1 substrate recognition: Complex with 8-oxo-dGTP.
Descriptor: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
Authors:Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSN
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BU of 5fsn by Molmil
MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol.
Descriptor: 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ...
Authors:Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5FSK
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BU of 5fsk by Molmil
MTH1 substrate recognition: Complex with 8-oxo-dGTP.
Descriptor: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION
Authors:Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5G55
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BU of 5g55 by Molmil
3-Quinoline Carboxamides inhibitors of Pi3K
Descriptor: 6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Edman, K, Phillips, C.
Deposit date:2016-05-20
Release date:2016-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (Atm) Kinase.
J.Med.Chem., 59, 2016
4CCL
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BU of 4ccl by Molmil
X-Ray structure of E. coli ycfD
Descriptor: 50S RIBOSOMAL PROTEIN L16 ARGININE HYDROXYLASE, MANGANESE (II) ION, SULFATE ION
Authors:McDonough, M.A, Ho, C.H, Kershaw, N.J, Schofield, C.J.
Deposit date:2013-10-23
Release date:2014-04-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CSW
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BU of 4csw by Molmil
Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase
Descriptor: CITRIC ACID, CUPIN 4 FAMILY PROTEIN, GLYCEROL, ...
Authors:McDonough, M.A, Sekirnik, R, Schofield, C.J.
Deposit date:2014-03-11
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.821 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CUG
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BU of 4cug by Molmil
Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase in complex substrate fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S RIBOSOMAL PROTEIN L16, CUPIN 4 FAMILY PROTEIN, ...
Authors:McDonough, M.A, Sekirnik, R, Schofield, C.J.
Deposit date:2014-03-18
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
Descriptor: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.L.
Deposit date:2013-08-02
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4DIQ
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BU of 4diq by Molmil
Crystal Structure of human NO66
Descriptor: Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2012-01-31
Release date:2012-03-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of human NO66
TO BE PUBLISHED
3TUB
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BU of 3tub by Molmil
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
Descriptor: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea, Tyrosine-protein kinase SYK
Authors:Han, S.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
2V95
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BU of 2v95 by Molmil
Structure of Corticosteroid-Binding Globulin in complex with Cortisol
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, CORTICOSTEROID-BINDING GLOBULIN
Authors:Klieber, M.A, Muller, Y.A.
Deposit date:2007-08-21
Release date:2007-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Corticosteroid-Binding Globulin: Structural Basis for Steroid Transport and Proteinase-Triggered Release
J.Biol.Chem., 282, 2007
4LIT
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BU of 4lit by Molmil
Structure of YcfD a Ribosomal oxygenase from Escherichia coli in complex with Cobalt and 2-oxoglutarate.
Descriptor: 2-OXOGLUTARIC ACID, 50S ribosomal protein L16 arginine hydroxylase, COBALT (II) ION
Authors:Brissett, N.C, Doherty, A.J.
Deposit date:2013-07-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4LIU
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BU of 4liu by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli.
Descriptor: 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Brissett, N.C, Doherty, A.J, Fox, G.C.
Deposit date:2013-07-03
Release date:2014-05-14
Last modified:2014-07-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4LIV
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BU of 4liv by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli in complex with Cobalt and succinic acid.
Descriptor: 50S ribosomal protein L16 arginine hydroxylase, COBALT (II) ION, SUCCINIC ACID
Authors:Brissett, N.C, Doherty, A.J.
Deposit date:2013-07-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
3T5Z
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BU of 3t5z by Molmil
Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-methoxybenzenesulfonamide, ...
Authors:Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
Deposit date:2011-07-28
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011
3T5U
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BU of 3t5u by Molmil
Crystal structure of the human carbonic anhydrase II in complex with N-hydroxy benzenesulfonamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
Deposit date:2011-07-28
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011

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数据于2024-11-06公开中

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