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PDB: 187 件
3OTU
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BU of 3otu by Molmil
PDK1 mutant bound to allosteric disulfide fragment activator JS30
分子名称: 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, 3-phosphoinositide-dependent protein kinase 1, 4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol, ...
著者Sadowsky, J.D, Wells, J.A.
登録日2010-09-13
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1013 Å)
主引用文献Turning a protein kinase on or off from a single allosteric site via disulfide trapping.
Proc.Natl.Acad.Sci.USA, 108, 2011
6DF1
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BU of 6df1 by Molmil
Anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody 4G10-4D5 heavy chain, Anti-phosphotyrosine antibody 4G10-4D5 light chain, LEU-PTR
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6DF2
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BU of 6df2 by Molmil
Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
4JFX
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BU of 4jfx by Molmil
Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide
分子名称: Fab heavy chain, Fab light chain, Phosphopeptide, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-09-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JQZ
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BU of 4jqz by Molmil
Human procaspase-3, crystal form 2
分子名称: Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JR0
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BU of 4jr0 by Molmil
Human procaspase-3 bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L9W
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BU of 4l9w by Molmil
Crystal Structure of H-Ras G12C, GMPPNP-bound
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-06-18
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4L8G
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BU of 4l8g by Molmil
Crystal Structure of K-Ras G12C, GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-06-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4L9S
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BU of 4l9s by Molmil
Crystal Structure of H-Ras G12C, GDP-bound
分子名称: CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-06-18
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M1Y
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BU of 4m1y by Molmil
Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4JR1
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BU of 4jr1 by Molmil
Human procaspase-7 bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JFZ
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BU of 4jfz by Molmil
Structure of phosphoserine (pSAb) scaffold bound to pSer peptide
分子名称: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JG1
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BU of 4jg1 by Molmil
Structure of phosphoserine/threonine (pSTAb) scaffold bound to pThr peptide
分子名称: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JG0
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BU of 4jg0 by Molmil
Structure of phosphoserine/threonine (pSTAb) scaffold bound to pSer peptide
分子名称: Fab heavy chain, Fab light chain, PROPANOIC ACID, ...
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JR2
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BU of 4jr2 by Molmil
Human procaspase-7/caspase-7 heterodimer bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LYH
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BU of 4lyh by Molmil
Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-31
公開日2013-11-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.371 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M22
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BU of 4m22 by Molmil
Crystal Structure of small molecule acrylamide 16 covalently bound to K-Ras G12C
分子名称: 1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-05
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LYJ
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BU of 4lyj by Molmil
Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative space group
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-31
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4JFY
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BU of 4jfy by Molmil
Apo structure of phosphotyrosine (pYAb) scaffold
分子名称: Fab heavy chain, Fab light chain, TETRAETHYLENE GLYCOL
著者Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
登録日2013-02-28
公開日2013-08-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4JQY
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BU of 4jqy by Molmil
Human procaspase-3, crystal form 1
分子名称: Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LYF
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BU of 4lyf by Molmil
Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-31
公開日2013-11-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.568 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M21
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BU of 4m21 by Molmil
Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C
分子名称: 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-05
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4M1W
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BU of 4m1w by Molmil
Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, MAGNESIUM ION, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LPK
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BU of 4lpk by Molmil
Crystal Structure of K-Ras WT, GDP-bound
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-16
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LUC
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BU of 4luc by Molmil
Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-25
公開日2013-11-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013

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