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7B42
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BU of 7b42 by Molmil
Crystal structure of c-MET bound by compound 8
Descriptor: 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2020-12-02
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B3W
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BU of 7b3w by Molmil
Crystal structure of c-MET bound by compound 4
Descriptor: 1,2-ETHANEDIOL, 3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2020-12-01
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B3Q
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BU of 7b3q by Molmil
Crystal structure of c-MET bound by compound 1
Descriptor: 1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one, Hepatocyte growth factor receptor, SULFATE ION
Authors:Collie, G.W.
Deposit date:2020-12-01
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B43
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BU of 7b43 by Molmil
Crystal structure of c-MET bound by compound 9
Descriptor: 3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2020-12-02
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B40
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BU of 7b40 by Molmil
Crystal structure of c-MET bound by compound 6
Descriptor: 3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2020-12-01
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B3Z
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BU of 7b3z by Molmil
Crystal structure of c-MET bound by compound 5
Descriptor: 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2020-12-01
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B3V
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BU of 7b3v by Molmil
Crystal structure of c-MET bound by compound 3
Descriptor: 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2020-12-01
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B44
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BU of 7b44 by Molmil
Crystal structure of c-MET bound by compound S1
Descriptor: 5-methoxy-1~{H}-indazole, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor, ...
Authors:Collie, G.W.
Deposit date:2020-12-02
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B3T
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BU of 7b3t by Molmil
Crystal structure of c-MET bound by compound 2
Descriptor: 3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Hepatocyte growth factor receptor, ...
Authors:Collie, G.W.
Deposit date:2020-12-01
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
7B41
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BU of 7b41 by Molmil
Crystal structure of c-MET bound by compound 7
Descriptor: 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2020-12-02
Release date:2020-12-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
4ZSL
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BU of 4zsl by Molmil
MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Descriptor: 3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7
Authors:Ogg, D.J, Tucker, J.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
4ZSG
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BU of 4zsg by Molmil
MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Descriptor: 3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7
Authors:Tucker, J, Ogg, D.J.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
4ZSJ
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BU of 4zsj by Molmil
MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Descriptor: 3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7
Authors:Tucker, J, Ogg, D.J.
Deposit date:2015-05-13
Release date:2016-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
2WU7
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BU of 2wu7 by Molmil
Crystal Structure of the Human CLK3 in complex with V25
Descriptor: CHLORIDE ION, DUAL SPECIFICITY PROTEIN KINASE CLK3, SULFATE ION, ...
Authors:Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Phillips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Bracher, F, Huber, K, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2WO6
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BU of 2wo6 by Molmil
Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in complex with a consensus substrate peptide
Descriptor: ARTIFICIAL CONSENSUS SEQUENCE, CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, ...
Authors:Roos, A.K, Soundararajan, M, Elkins, J.M, Fedorov, O, Eswaran, J, Phillips, C, Pike, A.C.W, Ugochukwu, E, Muniz, J.R.C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A, Bountra, C, Knapp, S.
Deposit date:2009-07-22
Release date:2009-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
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:2020-06-03
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
3HDZ
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BU of 3hdz by Molmil
Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors
Descriptor: 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Cubbage, J.W, Brown, D.G, Jacobsen, E.J, Walker, J.K, Hughes, R.O.
Deposit date:2009-05-07
Release date:2009-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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
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
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-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 (1.55 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
Descriptor: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, 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 (1.52 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Descriptor: 4-(carbamoylamino)-1-(naphthalen-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 (1.7 Å)
Cite:Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 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
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

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数据于2024-06-19公开中

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