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7JJG
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BU of 7jjg by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20
Descriptor: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, GLYCEROL, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-07-25
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
2CYK
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BU of 2cyk by Molmil
ASPECTS OF RECEPTOR BINDING AND SIGNALLING OF INTERLEUKIN-4 INVESTIGATED BY SITE-DIRECTED MUTAGENESIS AND NMR SPECTROSCOPY
Descriptor: INTERLEUKIN-4
Authors:Mueller, T, Sebald, W, Oschkinat, H.
Deposit date:1994-08-16
Release date:1994-12-20
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Aspects of receptor binding and signalling of interleukin-4 investigated by site-directed mutagenesis and NMR spectroscopy.
J.Mol.Biol., 237, 1994
6PEO
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BU of 6peo by Molmil
Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril
Descriptor: Alpha-synuclein
Authors:Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S.
Deposit date:2019-06-20
Release date:2019-11-27
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
4NEJ
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BU of 4nej by Molmil
Small molecular fragment bound to crystal contact interface of Interleukin-2
Descriptor: 5-methylfuran-2-carboxylic acid, Interleukin-2
Authors:Brenke, R, Jehle, S, Vajda, S, Allen, K.N, Kozakov, D.
Deposit date:2013-10-29
Release date:2014-11-19
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Small molecular fragments bound to binding energy hot-spot in crystal contact interface of Interleukin-2
To be Published
1KXU
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BU of 1kxu by Molmil
CYCLIN H, A POSITIVE REGULATORY SUBUNIT OF CDK ACTIVATING KINASE
Descriptor: CYCLIN H
Authors:Kim, K.K, Chamberin, H.M, Morgan, D.O, Kim, S.-H.
Deposit date:1996-08-08
Release date:1997-01-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structure of human cyclin H, a positive regulator of the CDK-activating kinase.
Nat.Struct.Biol., 3, 1996
7CWE
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BU of 7cwe by Molmil
Human Fructose-1,6-bisphosphatase 1 in APO R-state
Descriptor: Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-28
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human Fructose-1,6-bisphosphatase 1 in APO R-state
To Be Published
7CVH
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BU of 7cvh by Molmil
Human Fructose-1,6-bisphosphatase 1 in complex with geranylgeranyl diphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-26
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structural basis for GGPP activation on the enzymatic activities FBP1
To Be Published
7UUQ
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BU of 7uuq by Molmil
Cryo-EM of self-assembling pyrene IDP
Descriptor: Pyrene-containing peptide fibril
Authors:Wang, F, Guo, J, Xu, B, Egelman, E.H.
Deposit date:2022-04-28
Release date:2023-05-10
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Hierarchical Assembly of Intrinsically Disordered Short Peptides.
Chem, 9, 2023
7AYY
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BU of 7ayy by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AXQ
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BU of 7axq by Molmil
Structure of the cryo-trapped WDR5:CS-VIP8 cocrystal after illumination at 405 nm and 180 K
Descriptor: CS-VIP8, WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.562 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXX
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BU of 7axx by Molmil
Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature
Descriptor: (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXP
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BU of 7axp by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 2
Descriptor: CS-VIP8, WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.432 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7AXS
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BU of 7axs by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
Descriptor: CS-VIP8, (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-12-15
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
1LEZ
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BU of 1lez by Molmil
CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS ACTIVATOR MKK3B
Descriptor: MAP kinase kinase 3b, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Chang, C.-I, Xu, B.-E, Akella, R, Cobb, M.H, Goldsmith, E.J.
Deposit date:2002-04-10
Release date:2002-07-10
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of MAP kinase p38 complexed to the docking sites on its nuclear substrate MEF2A and activator MKK3b.
Mol.Cell, 9, 2002
7AG0
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BU of 7ag0 by Molmil
Complex between the bone morphogenetic protein 2 and its antagonist Noggin
Descriptor: Bone morphogenetic protein 2, GLYCEROL, Noggin
Authors:Robert, C, Bruck, F, Herman, R, Vandevenne, M, Filee, P, Kerff, F, Matagne, A.
Deposit date:2020-09-21
Release date:2022-04-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural analysis of the interaction between human cytokine BMP-2 and the antagonist Noggin reveals molecular details of cell chondrogenesis inhibition.
J.Biol.Chem., 299, 2023
1N39
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BU of 1n39 by Molmil
Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase
Descriptor: CALCIUM ION, DNA complement strand, DNA inhibitor strand, ...
Authors:Norman, D.P, Chung, S.J, Verdine, G.L.
Deposit date:2002-10-25
Release date:2003-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase
Biochemistry, 42, 2003
7MYO
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BU of 7myo by Molmil
Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
Deposit date:2021-05-21
Release date:2021-11-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7MYN
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BU of 7myn by Molmil
Cryo-EM Structure of p110alpha in complex with p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K.
Deposit date:2021-05-21
Release date:2021-11-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
1N3A
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BU of 1n3a by Molmil
Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase
Descriptor: CALCIUM ION, DNA complement strand, DNA inhibitor strand, ...
Authors:Norman, D.P, Chung, S.J, Verdine, G.L.
Deposit date:2002-10-25
Release date:2003-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase
Biochemistry, 42, 2003
3GFC
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BU of 3gfc by Molmil
Crystal Structure of Histone-binding protein RBBP4
Descriptor: Histone-binding protein RBBP4
Authors:Amaya, M.F, Dong, A, Li, Z, He, H, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-02-26
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
7BCY
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BU of 7bcy by Molmil
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Descriptor: ORF 73, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7BED
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BU of 7bed by Molmil
X-ray structure of WDR5 bound to the WDR5 win motif peptide
Descriptor: SULFATE ION, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-23
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7JTC
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BU of 7jtc by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
Descriptor: 1,2-ETHANEDIOL, 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-08-17
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
To Be Published
7JSP
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BU of 7jsp by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738
Descriptor: 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-08-15
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
2D48
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BU of 2d48 by Molmil
Crystal structure of the Interleukin-4 variant T13D
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-11
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006

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