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3QCY
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BU of 3qcy by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide
分子名称: (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCX
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BU of 3qcx by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCS
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BU of 3qcs by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD0
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BU of 3qd0 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide
分子名称: (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCQ
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Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD3
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BU of 3qd3 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate
分子名称: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD4
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BU of 3qd4 by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate
分子名称: 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
著者Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
登録日2011-01-17
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
7NXA
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BU of 7nxa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXB
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BU of 7nxb by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX6
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BU of 7nx6 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXC
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BU of 7nxc by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX7
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BU of 7nx7 by Molmil
Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX9
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BU of 7nx9 by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX8
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BU of 7nx8 by Molmil
Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
1MV8
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BU of 1mv8 by Molmil
1.55 A crystal structure of a ternary complex of GDP-mannose dehydrogenase from Psuedomonas aeruginosa
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, GDP-mannose 6-dehydrogenase, ...
著者Snook, C.F, Tipton, P.A, Beamer, L.J.
登録日2002-09-24
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The crystal structure of GDP-mannose dehydrogenase: A key enzyme in alginate biosynthesis of P. aeruginosa
Biochemistry, 42, 2003
7NEG
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BU of 7neg by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-02-04
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
7NEH
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BU of 7neh by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-02-04
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
1MFZ
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BU of 1mfz by Molmil
Partially refined 2.8 A Crystal structure of GDP-mannose dehydrogenase from P. aeruginosa
分子名称: GDP-mannose 6-dehydrogenase, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER
著者Snook, C.F, Tipton, P.A, Beamer, L.J.
登録日2002-08-14
公開日2003-05-06
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of GDP-mannose dehydrogenase: A key enzyme in alginate biosynthesis of P. aeruginosa
Biochemistry, 42, 2003
1MUU
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2.0 A crystal structure of GDP-mannose dehydrogenase
分子名称: GDP-mannose 6-dehydrogenase, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ...
著者Snook, C.F, Tipton, P.A, Beamer, L.J.
登録日2002-09-24
公開日2003-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of GDP-mannose dehydrogenase: A key enzyme of alginate biosynthesis in P. aeruginosa
Biochemistry, 42, 2003

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