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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
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
1FV5
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BU of 1fv5 by Molmil
SOLUTION STRUCTURE OF THE FIRST ZINC FINGER FROM THE DROSOPHILA U-SHAPED TRANSCRIPTION FACTOR
Descriptor: FIRST ZINC FINGER OF U-SHAPED, ZINC ION
Authors:Liew, C.K, Kowalski, K, Fox, A.H, Newton, A, Sharpe, B.K, Crossley, M, Mackay, J.P.
Deposit date:2000-09-18
Release date:2000-10-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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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BU of 2ojj by Molmil
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
Descriptor: (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
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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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BU of 8veo by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor: FARNESYL, Rap1 GTPase-GDP dissociation stimulator 1, Transforming protein RhoA
Authors:Shimizu, H, Toma-Fukai, S, Shimizu, T.
Deposit date:2018-03-13
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: BALANOL, CAMP-DEPENDENT PROTEIN KINASE
Authors:Narayana, N, Xuong, N.-H, Ten Eyck, L.F, Taylor, S.S.
Deposit date:1998-10-13
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY
Descriptor: ADENOSINE MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE
Authors:Narayana, N, Cox, S, Xuong, N, Ten Eyck, L.F, Taylor, S.S.
Deposit date:1997-07-01
Release date:1998-03-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.792 Å)
Cite: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
Descriptor: POLYPROTEIN
Authors:Adams, P, Lea, S, Newman, J, Blakemore, W, King, A, Stuart, D, Fry, E.
Deposit date:2009-12-02
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, Interleukin-17A, ...
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:"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
Descriptor: Interleukin-17A, SULFATE ION, scFv CAT2200 LH
Authors:Luo, J, Armstrong, A.A.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:"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
Descriptor: U-SHAPED TRANSCRIPTIONAL COFACTOR, ZINC ION
Authors:Liew, C.K, Kowalski, K, Fox, A.H, Newton, A, Sharpe, B.K, Crossley, M, Mackay, J.P.
Deposit date:2000-09-14
Release date:2000-10-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 20, ...
Authors:Utepbergenov, D, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
Deposit date:2010-04-29
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of molecular specificity of RhoGAP domains towards small GTPases of RhoA family.
To be Published
5WFC
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BU of 5wfc by Molmil
Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK343
Descriptor: Histone H3.1, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ...
Authors:Bratkowski, M.A, Liu, X.
Deposit date:2017-07-11
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.282 Å)
Cite: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
Descriptor: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
Authors:Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E.
Deposit date:1997-08-27
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors: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)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
Authors: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)
Deposit date:2011-11-29
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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)
Descriptor: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite: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
Descriptor: GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF
Authors:Li, H, Ruthenburg, A.J, Patel, D.J.
Deposit date:2011-03-07
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
3UVM
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BU of 3uvm by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL4
Descriptor: Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5
Authors:Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
Deposit date:2011-11-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
Descriptor: GLYCEROL, MAGNESIUM ION, N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN, ...
Authors:Lenzen, C.U, Steinmann, D, Whiteheart, S.W, Weis, W.I.
Deposit date:1998-06-30
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the hexamerization domain of N-ethylmaleimide-sensitive fusion protein.
Cell(Cambridge,Mass.), 94, 1998
3UV5
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BU of 3uv5 by Molmil
Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1
Authors: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)
Deposit date:2011-11-29
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012

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