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2OJI
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Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
1FV5
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SOLUTION STRUCTURE OF THE FIRST ZINC FINGER FROM THE DROSOPHILA U-SHAPED TRANSCRIPTION FACTOR
分子名称: FIRST ZINC FINGER OF U-SHAPED, ZINC ION
著者Liew, C.K, Kowalski, K, Fox, A.H, Newton, A, Sharpe, B.K, Crossley, M, Mackay, J.P.
登録日2000-09-18
公開日2000-10-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of two CCHC zinc fingers from the FOG family protein U-shaped that mediate protein-protein interactions.
Structure Fold.Des., 8, 2000
2OJJ
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Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEO
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Crystal structure of PRMT5:MEP50 in complex with MTA
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
5ZHX
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BU of 5zhx by Molmil
Crystal structure of SmgGDS-558 and farnesylated RhoA complex
分子名称: FARNESYL, Rap1 GTPase-GDP dissociation stimulator 1, Transforming protein RhoA
著者Shimizu, H, Toma-Fukai, S, Shimizu, T.
登録日2018-03-13
公開日2018-09-05
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献GEF mechanism revealed by the structure of SmgGDS-558 and farnesylated RhoA complex and its implication for a chaperone mechanism.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2OJG
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BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
1BX6
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BU of 1bx6 by Molmil
CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE
分子名称: BALANOL, CAMP-DEPENDENT PROTEIN KINASE
著者Narayana, N, Xuong, N.-H, Ten Eyck, L.F, Taylor, S.S.
登録日1998-10-13
公開日1999-04-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase.
Biochemistry, 38, 1999
1BKX
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BU of 1bkx by Molmil
A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY
分子名称: ADENOSINE MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE
著者Narayana, N, Cox, S, Xuong, N, Ten Eyck, L.F, Taylor, S.S.
登録日1997-07-01
公開日1998-03-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility.
Structure, 5, 1997
3UVN
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BU of 3uvn by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
分子名称: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
著者Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
登録日2011-11-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
2WZR
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BU of 2wzr by Molmil
The Structure of Foot and Mouth Disease Virus Serotype SAT1
分子名称: POLYPROTEIN
著者Adams, P, Lea, S, Newman, J, Blakemore, W, King, A, Stuart, D, Fry, E.
登録日2009-12-02
公開日2010-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of Foot-and-Mouth Disease Virus Serotype Sat1.
To be Published
8DY5
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BU of 8dy5 by Molmil
Crystal Structure of spFv CAT2200 LH in complex with IL-17A
分子名称: CALCIUM ION, CHLORIDE ION, Interleukin-17A, ...
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY1
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BU of 8dy1 by Molmil
Crystal Structure of scFv CAT2200 LH in complex with IL-17A
分子名称: Interleukin-17A, SULFATE ION, scFv CAT2200 LH
著者Luo, J, Armstrong, A.A.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
1FU9
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BU of 1fu9 by Molmil
SOLUTION STRUCTURE OF THE NINTH ZINC-FINGER DOMAIN OF THE U-SHAPED TRANSCRIPTION FACTOR
分子名称: U-SHAPED TRANSCRIPTIONAL COFACTOR, ZINC ION
著者Liew, C.K, Kowalski, K, Fox, A.H, Newton, A, Sharpe, B.K, Crossley, M, Mackay, J.P.
登録日2000-09-14
公開日2000-10-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of two CCHC zinc fingers from the FOG family protein U-shaped that mediate protein-protein interactions.
Structure Fold.Des., 8, 2000
3MSX
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BU of 3msx by Molmil
Crystal structure of RhoA.GDP.MgF3 in complex with GAP domain of ArhGAP20
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 20, ...
著者Utepbergenov, D, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
登録日2010-04-29
公開日2011-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanism of molecular specificity of RhoGAP domains towards small GTPases of RhoA family.
To be Published
5WFC
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Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK343
分子名称: Histone H3.1, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ...
著者Bratkowski, M.A, Liu, X.
登録日2017-07-11
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Sci Rep, 8, 2018
1AUI
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BU of 1aui by Molmil
HUMAN CALCINEURIN HETERODIMER
分子名称: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
著者Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E.
登録日1997-08-27
公開日1997-12-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-11-21
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3UV4
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BU of 3uv4 by Molmil
Crystal Structure of the second bromodomain of human Transcription initiation factor TFIID subunit 1 (TAF1)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-29
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UVL
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BU of 3uvl by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL3
分子名称: Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5
著者Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
登録日2011-11-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
6IN9
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BU of 6in9 by Molmil
Crystal structure of MucB in complex with MucA(peri)
分子名称: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
3QZT
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BU of 3qzt by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form II
分子名称: GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF
著者Li, H, Ruthenburg, A.J, Patel, D.J.
登録日2011-03-07
公開日2011-06-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3UVM
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Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL4
分子名称: Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5
著者Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
登録日2011-11-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
1D2N
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BU of 1d2n by Molmil
D2 DOMAIN OF N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN
分子名称: GLYCEROL, MAGNESIUM ION, N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN, ...
著者Lenzen, C.U, Steinmann, D, Whiteheart, S.W, Weis, W.I.
登録日1998-06-30
公開日1998-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the hexamerization domain of N-ethylmaleimide-sensitive fusion protein.
Cell(Cambridge,Mass.), 94, 1998
3UV5
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Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-29
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012

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